SCHEMBL3459689

SCHEMBL3459689

O=[N+]([O-])c1ccc(-c2cc(O)on2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.49
MAPT P10636 8/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CASP1 P29466 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MCL1 Q07820 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL27544629 0.83 NPC1 (0.56) MAPTRAB9ANPC1CA12CA9
SCHEMBL19403807 0.81 CXCR1 (0.50) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL16549592 0.80 RAB9A (0.54) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL189588 0.80 NOTUM (0.60) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL2294299 0.80 PTPN1 (0.47) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL1220104 0.76 CA12 (0.52) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL26215511 0.76 MEN1 (0.59) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL2920882 0.76 NOTUM (0.60) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL28689579 0.76 NPC1 (0.67) CXCR1MAPTRAB9ANPC1CA12
SCHEMBL26215233 0.76 RAB9A (0.49) CXCR1MAPTRAB9ANPC1CA12

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
EP-1717231-B1 SUBSTITUTED AZOLE COMPOUNDS AND THEREOF PREPARATION AND APPLICATION SINOCHEM CORP (CN) 2015-09-02 EP disclosed
US-7795179-B2 Substituted azole compounds and its preparation and use thereof SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY (CN) 2010-09-14 US disclosed
US-20080108668-A1 Substituted azole compounds and its preparation and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2008-05-08 US disclosed
EP-1717231-A1 SUBSTITUTED AZOLE COMPOUNDS AND THEREOF PREPARATION AND APPLICATION Shenyang Research Institute of Chemical Industry (CN) 2006-11-02 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 (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-20080108668-A1 Substituted azole compounds and its preparation and use thereof DDT, CRY1, WAPL CXCR1 3753/4885MAPT 335/4885RAB9A 1034/4885

“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.