SCHEMBL13545987

SCHEMBL13545987

N#Cc1c(-c2ccco2)cc(-c2ccc(Cl)s2)nc1NCc1ccc(C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.42
▸ ADORA1 P30542 5/20 0.42
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 7/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ APOBEC3A P31941 2/20 0.41
▸ APOBEC3G Q9HC16 2/20 0.41
▸ MAPT P10636 7/20 0.40
▸ POLB P06746 4/20 0.40
▸ USP2 O75604 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALOX12 P18054 1/20 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
SCHEMBL13545984 0.90 KDM4E (0.44) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL3590027 0.83 KDM4E (0.49) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL3588911 0.78 ADORA2A (0.53) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL3594349 0.76 KDM4E (0.49) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL13545961 0.75 ADORA2A (0.60) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL3582497 0.73 KDM4E (0.54) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL14391015 0.73 MEN1 (0.38) KDM4EALDH1A1HSD17B10HPGDAPOBEC3A
SCHEMBL3594245 0.72 PDE5A (0.47) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL4189757 0.72 ADORA2A (0.57) ADORA2AADORA1KDM4EALDH1A1HSD17B10
SCHEMBL13545982 0.72 PDE5A (0.46) ADORA2AADORA1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 ADORA2A 3605/4885ADORA1 2470/4885KDM4E 1075/4885

“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.

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