SCHEMBL2507511

SCHEMBL2507511

CCOc1nc(C(=O)O)c(OCc2ccccc2)c(=O)n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
PKM P14618 2/20 0.48
CYP1A2 P05177 5/20 0.42
SRD5A2 P31213 2/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SRD5A1 P18405 1/20 0.39

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
SCHEMBL3420229 0.84 CYP1A2 (0.47) MAOAMAOBPKMCYP1A2SRD5A2
SCHEMBL12225690 0.81 PKM (0.38) PKMALDH1A1TSHRLMNAKMT2A
SCHEMBL5300942 0.80 PKM (0.42) MAOAMAOBPKMCYP1A2SRD5A2
SCHEMBL3416727 0.77 KMT2A (0.46) MAOAMAOBPKMALDH1A1LMNA
SCHEMBL1668866 0.77 HDAC1 (0.46) MAOAMAOBPKMCYP1A2SRD5A2
SCHEMBL15413241 0.76 DAPK1 (0.40) MAOAMAOBPKMCYP1A2SRD5A2
SCHEMBL22927770 0.76 NR3C1 (0.41) CYP1A2ALDH1A1CYP2C9CYP2C19CYP3A4
SCHEMBL5310259 0.76 CYP1A2 (0.41) MAOAMAOBPKMCYP1A2SRD5A2
SCHEMBL2553621 0.76 PKM (0.44) MAOAMAOBPKMSRD5A2ALDH1A1
SCHEMBL22927731 0.75 MAPK1 (0.43) MAOBALDH1A1HSD17B10TSHRLMNA

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
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG MAOA 1379/4885MAOB 1256/4885PKM 2659/4885

“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.