SCHEMBL5761297

SCHEMBL5761297

COCCNc1nc(-c2ccccc2)c(C(=O)O)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.59
ADORA2A P29274 1/20 0.59
ALDH1A1 P00352 6/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
NPC1 O15118 3/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
PTGS2 P35354 1/20 0.50
ADORA3 P0DMS8 5/20 0.49
DHODH Q02127 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL6502440 0.87 DHODH (0.68) ADORA1ADORA2AALDH1A1KDM4ENPSR1
SCHEMBL1383651 0.78 TRPV4 (0.49) ADORA1ADORA2AALDH1A1LMNAHTT
SCHEMBL1381282 0.77 ADORA1 (0.45) ADORA1ADORA2AALDH1A1LMNAHTT
SCHEMBL5819987 0.76 CDC7 (0.47) ADORA1ALDH1A1LMNAHTTMAPT
SCHEMBL15064944 0.75 KMT2A (0.70) ADORA1ADORA2AALDH1A1LMNAHTT
SCHEMBL25352063 0.75 KMT2A (0.59) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL3875346 0.75 ADORA2A (1.00) ADORA1ADORA2AADORA3
SCHEMBL1379595 0.74 ADORA2A (0.47) ADORA1ADORA2AALDH1A1LMNAHTT
SCHEMBL3587631 0.74 ADORA3 (0.82) ADORA1ADORA2AALDH1A1LMNAHTT
SCHEMBL5360478 0.73 GAA (0.69) ADORA1ALDH1A1LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 WO 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ADORA1 1622/4885ADORA2A 450/4885ALDH1A1 240/4885

“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.