SCHEMBL14247767

SCHEMBL14247767

Cc1cccc2c1nc(C)n2S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.39
▸ ALDH3A1 P30838 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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
SCHEMBL17459786 0.77 HTR6 (0.37) HTR6SMN1; SMN2TLR8ALDH3A1LMNA
SCHEMBL3634978 0.76 SMN1; SMN2 (0.66) SMN1; SMN2ALDH3A1ALDH1A1LMNAPKM
SCHEMBL5144295 0.73 TLR8 (0.44) TLR8ALDH1A1AURKACYP1A2CYP3A4
SCHEMBL288963 0.72 CACNA1H (0.33) —
SCHEMBL353025 0.71 CYP1A2 (0.59) SMN1; SMN2TLR8ALDH1A1AURKALMNA
Formamide SCHEMBL28367514 0.70 CYP1A2 (0.51) TLR8ALDH1A1AURKALMNACYP1A2
SCHEMBL15112010 0.70 KMT2A (0.40) TLR8ALDH1A1AURKACYP1A2CYP3A4
SCHEMBL14304355 0.69 TLR8 (0.41) TLR8ALDH1A1AURKACYP1A2CYP3A4
SCHEMBL5144279 0.69 DAO (0.41) TLR8ALDH1A1AURKACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28791312 0.69 KMT2A (0.39) TLR8ALDH1A1AURKACYP1A2CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104854098-B Benzimidazole derivatives as EP4 antagonists 拜耳医药股份公司 2018-01-09 — — CN disclosed
US-9708311-B2 Benzimidazole derivatives as EP4 antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-18 — — US disclosed
US-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS BAYER ANIMAL HEALTH GMBH (DE) 2016-07-28 — — US disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 — — WO 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 (1 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-20160214977-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS PTGER4, PTGER1, PTGER2 HTR6 397/4885SMN1; SMN2 3924/4885TLR8 2348/4885

“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.

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