SCHEMBL3079524

SCHEMBL3079524

Cc1c(C#N)c(=O)oc2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.57
MAOA P21397 5/20 0.56
MAOB P27338 5/20 0.56
ALPL P05186 6/20 0.55
ALPI P09923 5/20 0.55
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNH2 Q12809 1/20 0.52
GPR35 Q9HC97 1/20 0.50
MCL1 Q07820 1/20 0.50
AURKA O14965 1/20 0.46
JAK2 O60674 1/20 0.46
CSF1R P07333 1/20 0.46

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
SCHEMBL29226062 0.88 HSD17B3 (0.69) HSD17B3MAOAMAOBALPLALPI
SCHEMBL19635944 0.84 HSD17B3 (0.60) HSD17B3MAOAMAOBALPLALPI
SCHEMBL30876199 0.84 HSD17B3 (0.60) HSD17B3MAOAMAOBALPLALPI
SCHEMBL3076160 0.82 HSD17B3 (0.57) HSD17B3MAOAMAOBALPLALPI
SCHEMBL3078189 0.82 HSD17B3 (0.57) HSD17B3MAOAMAOBALPLALPI
SCHEMBL3086227 0.81 HSD17B3 (0.60) HSD17B3MAOAMAOBALPLALPI
SCHEMBL3086146 0.79 HSD17B3 (0.57) HSD17B3MAOAMAOBALPLALPI
SCHEMBL11067092 0.78 KDM4E (0.66) HSD17B3MAOAMAOBALPLALPI
SCHEMBL3073187 0.76 GPR35 (0.50) HSD17B3MAOAMAOBALPLALPI
SCHEMBL29206959 0.75 HSD17B3 (0.73) HSD17B3MAOAMAOBALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005599-A 7-Aminocoumarin derivative and synthetic method and application thereof 陕西科技大学 2024-05-10 CN disclosed
CN-112409345-A Preparation method of novel dihydropyronyl coumarin compound 大连理工大学 2021-02-26 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

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 HSD17B3 239/4885MAOA 3643/4885MAOB 3597/4885

“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.