SCHEMBL856525

SCHEMBL856525

O=C=Nc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP3A4 P08684 2/20 0.41
TRPA1 O75762 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
TSHR P16473 1/20 0.37
KMO O15229 2/20 0.35
DAO P14920 1/20 0.35
NOTUM Q6P988 3/20 0.35
RAPGEF3 O95398 2/20 0.33
PDE2A O00408 1/20 0.33
KDR P35968 1/20 0.33
KMT2A Q03164 2/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11085824 0.88 MAPK1 (0.59) MAPK1TDP1CYP3A4TRPA1HTR3E
SCHEMBL11653760 0.88 MAPK1 (0.59) MAPK1TDP1CYP3A4TRPA1HTR3E
SCHEMBL58303 0.86 MAPK1 (0.61) MAPK1TDP1CYP3A4TRPA1HTR3E
SCHEMBL29397209 0.86 MAPK1 (0.61) MAPK1TDP1CYP3A4TRPA1HTR3E
SCHEMBL10646825 0.84 MAPK1 (0.63) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL1555041 0.83 MAPK1 (0.47) MAPK1TDP1CYP3A4TRPA1HTR3E
SCHEMBL11287987 0.82 HTR3E (0.40) MAPK1TDP1CYP3A4HTR3EHTR3B
SCHEMBL10763634 0.81 MAPK1 (0.56) MAPK1TDP1CYP3A4TRPA1TSHR
SCHEMBL4462791 0.80 KIF11 (0.45) MAPK1TDP1CYP3A4TRPA1HTR3E
SCHEMBL30196175 0.80 KIF11 (0.45) MAPK1TDP1CYP3A4TRPA1HTR3E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3931171-A FROM A 1,3-DIOXINONE-(4) AND AN ISOCYANATE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-11-23 US disclosed
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-11-23 US disclosed
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-09-07 US disclosed
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US disclosed
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 Pathios Therapeutics Limited (GB) 2023-06-08 US disclosed
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2022-05-31 US disclosed
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF BIOTHERYX, INC. (US) 2021-05-13 US disclosed
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2021-01-12 US disclosed
US-20200397755-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-24 US disclosed
EP-0058868-B1 DERIVATIVES OF TETRAHYDROPYRIMIDINON, PROCESS FOR THEIR PREPARATION AND HERBICIDES CONTAINING THOSE DERIVATIVES AS ACTIVE PRODUCTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-11 EP disclosed
US-4405644-A BICARBOCYCLIC ARYL UREA OR THIOUREA COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1983-09-20 US disclosed
US-4402731-A Herbicidally active novel substituted tetrahydropyrimidinones NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1983-09-06 US disclosed
EP-0078991-A2 Process for the preparation of mixed trimers of organic isocyanates, mixed trimers obtained by this process and their use in the preparation of polyurethanes BAYER AG (DE) 1983-05-18 EP disclosed
EP-0058868-A1 Derivatives of tetrahydropyrimidinon, process for their preparation and herbicides containing those derivatives as active products NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1982-09-01 EP disclosed
EP-0022958-A1 Urea derivatives for use in the treatment of fat metabolism disorders BAYER AG (DE) 1981-01-28 EP disclosed
EP-0012435-A2 Isoxazole derivatives, process for their preparation, medicines containing them and intermediates required in this process HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP disclosed
US-4174445-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-11-13 US disclosed
US-3961061-A INSECTICIDES, FUNGICIDES, BACTERICIDES, MITICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-06-01 US disclosed
US-3931171-A FROM A 1,3-DIOXINONE-(4) AND AN ISOCYANATE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200397755-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C MAPK1 3379/4885TDP1 2316/4885CYP3A4 232/4885
US-20230373989-A1 N-PHENYLAMINOCARBONYL PYRIDINO-, PYRIMIDINO AND BENZO-TROPANES AS MODULATORS OF GPR65 GPR65, GPR55, GPR68 MAPK1 2453/4885TDP1 4112/4885CYP3A4 1490/4885
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 MAPK1 838/4885TDP1 3775/4885CYP3A4 3800/4885
US-20210139500-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, CKS2 MAPK1 1076/4885TDP1 3874/4885CYP3A4 3585/4885
US-10889593-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 MAPK1 838/4885TDP1 3775/4885CYP3A4 3800/4885
US-20230174530-A1 N-(PHENYLAMINOCARBONYL) TETRAHYDRO-ISOQUINOLINES AND RELATED COMPOUNDS AS MODULATORS OF GPR65 GPR3, GPR65, GPR52 MAPK1 3677/4885TDP1 4864/4885CYP3A4 989/4885
US-20230277505-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR2C MAPK1 3379/4885TDP1 2316/4885CYP3A4 232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.