SCHEMBL9921583

SCHEMBL9921583

Cc1cc(C(=O)NC23CCC(CC2)Cn2c3nc(-c3ncc(Cc4ccc(F)cc4)[nH]3)c(O)c2=O)no1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
CNR2 P34972 6/20 0.34
CNR1 P21554 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL9905054 0.87 TP53 (0.34) RAB9ATP53CNR2CNR1GRIN1
SCHEMBL9921570 0.84 CYP2C9 (0.35) CNR2CNR1
SCHEMBL9921586 0.82 GRIN1 (0.32) GRIN1GRIN2B
SCHEMBL9921578 0.82 CNR2 (0.32) CNR2CNR1GRIN1GRIN2B
SCHEMBL9921559 0.81
SCHEMBL52595 0.80 KCNH2 (0.44) TP53ALDH1A1GAAGFER
SCHEMBL16130154 0.80 CYP19A1 (0.32)
SCHEMBL9921536 0.80 GRIN1 (0.34) CNR1GRIN1GRIN2BALDH1A1GAA
SCHEMBL9921565 0.79 CNR2 (0.31) CNR2CNR1
SCHEMBL14214203 0.79 GRIN1 (0.31) GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2012078844-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 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-20120309745-A1 HIV Integrase Inhibitors DNTT, POLB, UNG RAB9A 3210/4885TP53 1122/4885CNR2 4810/4885

“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.