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SCHEMBL9905201

SCHEMBL9905201

CN(C)C(=O)C(=O)NC12CCC(CC1)Cn1c2nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ THRB P10828 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RIPK1 Q13546 1/20 0.32
▸ APLNR P35414 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ DGAT1 O75907 1/20 0.30

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
SCHEMBL9921579 0.88 CYP2C9 (0.35) CYP2C9KCNH2CNR1CNR2
SCHEMBL9905173 0.84 CYP2C9 (0.35) CYP2C9KCNH2CNR2DGAT1
SCHEMBL9905386 0.83 CYP2C9 (0.35) CYP2C9LMNANPC1RAB9AKCNH2
SCHEMBL9905222 0.82 CYP2C9 (0.37) CYP2C9KCNH2CNR1CNR2
SCHEMBL9905491 0.82 NPC1 (0.36) MAPTTP53THRBLMNARIPK1
SCHEMBL9921570 0.82 CYP2C9 (0.35) CYP2C9KCNH2CNR1CNR2
SCHEMBL9905175 0.79 HDAC1 (0.37) CYP2C9RIPK1KCNH2CNR1CNR2
SCHEMBL52664 0.79 CYP2C9 (0.55) CYP2C9MAPTLMNAKCNH2NPSR1
SCHEMBL64541 0.77 CYP2C9 (0.46) CYP2C9NPC1RAB9AKCNH2CNR2
SCHEMBL9905364 0.77 MAPT (0.35) MAPTTP53THRBLMNARIPK1

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 11 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 claimed
EP-2649074-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 — — EP claimed
US-20120309745-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 — — US claimed
WO-2012078844-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-14 — — WO claimed
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-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
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 CYP2C9 602/4885MAPT 2585/4885TP53 1122/4885

“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.