Sugi Predict

Sugi Predict / Compounds / SCHEMBL533867

SCHEMBL533867

SCHEMBL533867

O/N=C/c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ SLC22A1 O15245 1/20 0.55
▸ HTR1A P08908 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ CHRM1 P11229 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ ADRA2C P18825 1/20 0.55
▸ MAOA P21397 1/20 0.55
▸ DRD1 P21728 1/20 0.55
▸ TBXA2R P21731 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ HTR2C P28335 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ OPRM1 P35372 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ MTOR P42345 1/20 0.55

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
SCHEMBL533868 1.00 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A1HTR1AADRA2ACHRM1
SCHEMBL2010954 1.00 SMN1; SMN2 (0.55) SMN1; SMN2SLC22A1HTR1AADRA2ACHRM1
SCHEMBL6824608 0.87 TSHR (0.46) SMN1; SMN2SLC22A1HTR1AADRA2ACHRM1
SCHEMBL6824604 0.87 TSHR (0.46) SMN1; SMN2SLC22A1HTR1AADRA2ACHRM1
SCHEMBL2164318 0.85 CYP1A2 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL29385007 0.85 CYP1A2 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL2164321 0.85 CYP1A2 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1TDP1
SCHEMBL19900104 0.85 NPSR1 (0.55) SMN1; SMN2SLC22A1HTR1AADRA2ACHRM1
SCHEMBL21195765 0.85 NPSR1 (0.55) SMN1; SMN2SLC22A1HTR1AADRA2ACHRM1
SCHEMBL5302952 0.85 CYP1A2 (0.54) SMN1; SMN2MEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114950279-A Reaction kettle for preparing 2, 6-difluorobenzonitrile and production process 江西国化实业有限公司 2022-08-30 — — CN claimed
CN-109174200-A A kind of catalyst, preparation method and synthetic method synthesizing 1,1- diethoxyethane 中国科学院成都有机化学有限公司 2019-01-11 — — CN claimed
US-4443247-A HERBICIDES, PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1984-04-17 — — US claimed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 — — US disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 — — US disclosed
CN-119192174-A Novel biphenyl carboxylic FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2024-12-27 — — CN disclosed
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 — — US disclosed
CN-115819275-B Preparation method of 2, 6-dichlorobenzonitrile 济宁正东化工有限公司 2024-05-14 — — CN disclosed
CN-116283810-B Preparation method of isoxazole compound 上海麦克林生化科技股份有限公司 2024-04-19 — — CN disclosed
CN-117820076-A Method for preparing 2, 6-dichlorotoluene by micro-channel reactor 盐城师范学院 2024-04-05 — — CN disclosed
CN-117797770-A Stationary phase supported molecular sieve for separating mixed dichlorotoluene, preparation and use method thereof 江苏丰山生化科技有限公司 2024-04-02 — — CN disclosed
US-20030187042-A1 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2003-10-02 — — US disclosed
WO-2003015771-A1 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS LION BIOSCIENCE AG (DE) 2003-02-27 — — WO disclosed
EP-1140079-A1 ASSAYS FOR LIGANDS FOR NUCLEAR RECEPTORS GLAXO GROUP LIMITED (GB) 2001-10-10 — — EP disclosed
WO-2000037077-A1 ASSAYS FOR LIGANDS FOR NUCLEAR RECEPTORS GLAXO GROUP LIMITED (GB) 2000-06-29 — — WO disclosed
US-4581365-A Trichloroacryloyl oxime fungicides NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-08 — — US disclosed
US-4380661-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1983-04-19 — — US disclosed
US-4200587-A HERBICIDES HOFFMANN-LA ROCHE INC. (US) 1980-04-29 — — US disclosed
US-3941839-A HERBICIDE CIBA-GEIGY AG (CH) 1976-03-02 — — US disclosed
US-3941832-A Oxime ethers and pesticidal preparations containing them CIBA-GEIGY AG (CH) 1976-03-02 — — 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 (4 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-20030187042-A1 NR1H4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 SMN1; SMN2 4472/4885SLC22A1 1055/4885HTR1A 934/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R SMN1; SMN2 4807/4885SLC22A1 426/4885HTR1A 836/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 SMN1; SMN2 3677/4885SLC22A1 1586/4885HTR1A 2353/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R SMN1; SMN2 4807/4885SLC22A1 426/4885HTR1A 836/4885

“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.