SCHEMBL2642541

SCHEMBL2642541

[O]c1cccc(CCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.52
▸ CYP4F2 P78329 5/20 0.50
▸ CYP4A11 Q02928 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ ACMSD Q8TDX5 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.41
▸ CA2 P00918 2/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CDK8 P49336 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CCL2 P13500 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL239199 0.83 TDP1 (0.65) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL2643295 0.81 — —
SCHEMBL5539551 0.79 MAOA (0.56) TDP1ALDH1A1CA2TAAR1CA12
SCHEMBL19640340 0.77 TAAR1 (0.42) DRD2DRD1TAAR1
SCHEMBL3031250 0.77 TAAR1 (0.38) DRD2DRD1TAAR1TSHR
SCHEMBL2642831 0.77 TAAR1 (0.57) TDP1KDM4EALDH1A1GAAMAPT
SCHEMBL1805140 0.77 CNR1 (0.42) ALOX5CA2DRD2DRD1TAAR1
SCHEMBL15250083 0.76 TDP1 (0.56) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL2138580 0.76 TDP1 (0.56) TDP1CYP4F2CYP4A11KDM4EALDH1A1
SCHEMBL5542870 0.76 HTR2A (0.48) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107636499-A The polarizing coating and image display device of the subsidiary adhesive phase in two sides 日东电工株式会社 2018-01-26 — — CN disclosed
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 — — US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 — — US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 — — US disclosed
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 — — EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 — — US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 — — US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 — — US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 — — EP disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 — — EP 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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TDP1 4577/4885CYP4F2 988/4885CYP4A11 2517/4885
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 TDP1 2412/4885CYP4F2 2023/4885CYP4A11 1309/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 TDP1 4580/4885CYP4F2 1064/4885CYP4A11 2530/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 TDP1 4577/4885CYP4F2 988/4885CYP4A11 2517/4885

“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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