SCHEMBL3079094

SCHEMBL3079094

N#Cc1cc2cc(Cl)ccc2oc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 1.00
MAOB P27338 4/20 0.62
KDM4E B2RXH2 6/20 0.54
CA9 Q16790 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MIF P14174 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KMT2A Q03164 3/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA12 O43570 1/20 0.53
MEN1 O00255 2/20 0.50
GLA P06280 2/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.46
PSMB8 P28062 1/20 0.45

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
SCHEMBL3081130 0.80 GPR35 (0.67) GPR35KDM4ECA9ALDH1A1MIF
SCHEMBL15842406 0.78 GPR35 (0.65) GPR35MAOBKDM4ECA9ALDH1A1
SCHEMBL622794 0.77 KDM4E (0.64) GPR35MAOBKDM4ECA9ALDH1A1
SCHEMBL6836551 0.76 GLA (0.78) GPR35MAOBKDM4ECA9ALDH1A1
SCHEMBL29082332 0.75 GPR35 (0.60) GPR35MAOBKDM4ECA9ALDH1A1
SCHEMBL7023546 0.74 GPR35 (0.62) GPR35MAOBCA9CA1CA2
SCHEMBL11578348 0.74 MAOB (0.68) GPR35MAOBKDM4ECA9ALDH1A1
SCHEMBL30550392 0.74 MAOB (0.68) GPR35MAOBKDM4ECA9ALDH1A1
SCHEMBL1618338 0.74 MAOB (0.68) GPR35MAOBKDM4ECA9ALDH1A1
SCHEMBL7971600 0.74 MAOB (0.68) GPR35MAOBKDM4ECA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108069929-B 3-substituted coumarin derivative and application thereof, and GPR35 receptor agonist 中国科学院大连化学物理研究所 2021-06-15 CN claimed
CN-108069929-B 3-substituted coumarin derivative and application thereof, and GPR35 receptor agonist 中国科学院大连化学物理研究所 2021-06-15 CN disclosed
EP-2825261-A1 POLYPEPTIDES AND THEIR USE Novabiotics Limited (GB) 2015-01-21 EP disclosed
US-20140155321-A1 Polypeptides and Their Use NOVABIOTICS LIMITED (GB) 2014-06-05 US disclosed
WO-2013136040-A1 POLYPEPTIDES AND THEIR USE NOVABIOTICS LIMITED (GB) 2013-09-19 WO disclosed
US-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY NOVABIOTICS LIMITED (GB) 2010-10-21 US disclosed
CN-101501015-A Use of coumarin derivatives in antifungal therapy NOVABIOTICS LTD (GB) 2009-08-05 CN 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-20100267653-A1 USE OF COUMARIN DERIVATIVES IN ANTIFUNGAL THERAPY DPM1, XPO5, NISCH GPR35 4086/4885MAOB 3597/4885KDM4E 3277/4885

“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.