SCHEMBL64516

SCHEMBL64516

CC(CCc1ccccc1)NC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)C(=O)N(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.41
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 3/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.35
HSP90AA1 P07900 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL63912 0.87 ALDH1A1 (0.38) KMT2ASMN1; SMN2HTTMEN1ALDH1A1
SCHEMBL63505 0.87 L3MBTL1 (0.39) SMN1; SMN2HPGDHTTNPC1RAB9A
SCHEMBL53142 0.86 CYP2C9 (0.45) KMT2AHTTMEN1NPC1RAB9A
SCHEMBL62742 0.82 CYP2C9 (0.38)
SCHEMBL64282 0.81 CYP2C9 (0.39) SMN1; SMN2HPGDHTTLMNAALDH1A1
SCHEMBL63521 0.81 CYP2C9 (0.35)
SCHEMBL63901 0.81 CYP2C9 (0.38) KMT2ASMN1; SMN2NPC1RAB9ALMNA
SCHEMBL64541 0.81 CYP2C9 (0.46) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL64597 0.80 CYP2C9 (0.47)
SCHEMBL62749 0.80 CYP2C9 (0.41) KMT2AHTTMEN1LMNAALDH1A1

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 MDM2 4545/4885KMT2A 1339/4885SMN1; SMN2 4431/4885

“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.