SCHEMBL98163

SCHEMBL98163

FC(F)(F)c1c[c]c(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 6/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
TRPV6 Q9H1D0 1/20 0.33
PDE2A O00408 1/20 0.33
MGLL Q99685 1/20 0.33
CYP19A1 P11511 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
METAP2 P50579 1/20 0.31
PTPN5 P54829 1/20 0.30
NOTUM Q6P988 1/20 0.30

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
SCHEMBL27914204 0.98 AHR (0.34) AHRALDH1A1TSHRKIF11CES2
SCHEMBL15063925 0.83 KIF11 (0.48) AHRKIF11
SCHEMBL193576 0.82
SCHEMBL596825 0.78 TSHR (0.42) TSHR
SCHEMBL622951 0.77 PDE2A (0.42) PDE2A
SCHEMBL11798351 0.76 TSHR (0.39) ALDH1A1TSHRKIF11
SCHEMBL60519 0.73 ALDH1A1 (0.36) ALDH1A1TSHRKIF11CES2CES1
SCHEMBL221733 0.73 ALDH1A1 (0.36) AHRALDH1A1TSHRKIF11CES2
SCHEMBL457115 0.72 MAOB (0.45) ALDH1A1TSHRKIF11KDM4ENOTUM
SCHEMBL192799 0.71 ALDH1A1 (0.35) ALDH1A1TSHRKIF11CES2CES1

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 1386 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3750894-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2024-04-03 EP claimed
EP-3590941-B1 UREA-SUBSTITUTED AROMATIC RING-LINKED DIOXANE-QUINAZOLINE AND -LINKED DIOXANE-QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
EP-3750893-B1 DIOXAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-04-19 EP claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
CN-111196773-B 2- (3-oxo-2-pentylcyclopentyl) acetamide derivative and application thereof 沈阳化工研究院有限公司 2022-05-06 CN claimed
CN-106659714-B Imidazole and thiazole compositions for altering biological signaling 俄亥俄大学 2021-06-08 CN claimed
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2021-04-20 US claimed
EP-0201203-A2 Method of treatment of plants with aniline derivatives MAY & BAKER LIMITED (GB) 1986-11-12 EP claimed
EP-0183174-A2 Substituted phenoxy urea, processes for its preparation and herbicide containing it as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1986-06-04 EP claimed
US-4378357-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-03-29 US claimed
US-4283334-A DIURETICS AMERICAN CYANAMID COMPANY (US) 1981-08-11 US claimed
US-4264605-A INSECTICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US claimed
US-4198205-A SULFONIC ACID-FREE DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US claimed
EP-0008881-A1 1-Benzoyl-3-pyridinyl ureas, their use as insecticides, their preparation and formulations containing them ELI LILLY AND COMPANY (US) 1980-03-19 EP claimed
US-4179466-A Phthalic dianilides MONSANTO COMPANY (US) 1979-12-18 US claimed
US-4146386-A Phthalic dianilides and their use as plant growth regulators MONSANTO COMPANY (US) 1979-03-27 US claimed
US-3973010-A Insecticidal and acaricidal composition and method with triazolyl phosphoric esters acid CIBA-GEIGY CORPORATION (US) 1976-08-03 US claimed

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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 AHR 4371/4885ALDH1A1 1318/4885TSHR 4243/4885
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 AHR 998/4885ALDH1A1 700/4885TSHR 639/4885
US-10980809-B2 Urea-substituted aromatic ring-linked dioxane-quinazoline and -linked dioxane-quinoline compounds, preparation method therefor and use thereof BRAF, RAF1, ARAF AHR 91/4885ALDH1A1 510/4885TSHR 1188/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 AHR 1048/4885ALDH1A1 682/4885TSHR 591/4885

“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.