SCHEMBL63523

SCHEMBL63523

COc1ccc(CCNC(=O)c2nc3n(c(=O)c2O)CC2CCC3(NC(=O)C(=O)N(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL63535 0.92 CYP2C9 (0.45) KDM4EMAPTALOX15SMN1; SMN2ALDH1A1
SCHEMBL63903 0.92 CYP2C9 (0.39) KDM4EPOLBMAPTALOX15SMN1; SMN2
SCHEMBL64541 0.91 CYP2C9 (0.46) KDM4EPOLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL63901 0.91 CYP2C9 (0.38) MAPTSMN1; SMN2LMNAKMT2ACYP2C9
SCHEMBL64525 0.88 CA1 (0.43) POLBMAPTALDH1A1LMNAMEN1
SCHEMBL63505 0.86 L3MBTL1 (0.39) MAPTSMN1; SMN2ALDH1A1NPSR1CYP2C9
SCHEMBL64529 0.85 ALDH1A1 (0.41) POLBMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL62746 0.85 ABCB1 (0.39) SMN1; SMN2ALDH1A1LMNAGAAMEN1
SCHEMBL64597 0.84 CYP2C9 (0.47) CYP2C9
SCHEMBL63518 0.83 CYP2C9 (0.46) KDM4EPOLBMAPTALDH1A1LMNA

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
EP-2280981-B1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-04-23 EP disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 US disclosed
WO-2009117540-A1 BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-24 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG KDM4E 1609/4885POLB 2/4885MAPT 2585/4885

“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.