SCHEMBL2056464

SCHEMBL2056464

COc1ccc(F)cc1-c1cc(N)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.43
LRRK2 Q5S007 3/20 0.41
ALPL P05186 1/20 0.41
FYN P06241 2/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL31324689 0.83 HSD17B10 (0.58) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL4859841 0.83 HSD17B10 (0.58) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL27778769 0.82 ALPL (0.38) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL1856664 0.82 ALDH1A1 (0.57) USP2NPSR1HSD17B10ALDH1A1KDM4E
SCHEMBL22646258 0.77 ALPL (0.62) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL14910385 0.76 TLR8 (0.42) MEN1NPC1MAPTALOX15RAB9A
SCHEMBL22415495 0.76 NPC1 (0.50) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL22415502 0.76 ALPL (0.72) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL1528180 0.76 ALOX15 (0.56) MEN1NPC1USP2CYP1A2CYP3A4
SCHEMBL2056467 0.76 SMN1; SMN2 (0.57) MEN1NPC1USP2CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332461-B2 2-(1H-pyrazol-3-yl) phenol compound and use thereof BEIJING JIALIN PHARMACEUTICAL INC. (CN) 2022-05-17 US disclosed
US-20200354342-A1 2-(1H-PYRAZOL-3-YL) PHENOL COMPOUND AND USE THEREOF BEIJING JIALIN PHARMACEUTICAL INC. (CN) 2020-11-12 US disclosed
EP-3705476-A1 2-(1H-PYRAZOL-3-YL) PHENOL COMPOUND AND USE THEREOF Beijing Jialin Pharmaceutical Inc. (CN) 2020-09-09 EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 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 (3 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-11332461-B2 2-(1H-pyrazol-3-yl) phenol compound and use thereof VHL, PAH, TP53 MEN1 1057/4885NPC1 365/4885USP2 4140/4885
US-20200354342-A1 2-(1H-PYRAZOL-3-YL) PHENOL COMPOUND AND USE THEREOF VHL, PAH, TP53 MEN1 1057/4885NPC1 365/4885USP2 4140/4885
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 MEN1 4060/4885NPC1 1459/4885USP2 3391/4885

“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.