Sugi Predict

Sugi Predict / Compounds / SCHEMBL9905491

SCHEMBL9905491

SCHEMBL9905491

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ APLNR P35414 4/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ POLB P06746 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL9905201 0.82 CYP2C9 (0.35) NPC1RAB9AMAPTAPLNRTP53
SCHEMBL9921584 0.80 SMN1; SMN2 (0.35) NPC1RAB9AHPGDSMN1; SMN2LMNA
SCHEMBL9905149 0.79 CCR2 (0.31) —
SCHEMBL9921565 0.78 CNR2 (0.31) —
SCHEMBL1669200 0.76 NPC1 (0.39) NPC1RAB9AMAPTAPLNRTP53
SCHEMBL9905364 0.73 MAPT (0.35) MAPTTP53HPGDSMN1; SMN2LMNA
SCHEMBL51850 0.73 KCNH2 (0.49) SMN1; SMN2L3MBTL1NPSR1
SCHEMBL12198983 0.73 NPC1 (0.38) NPC1RAB9AMAPTAPLNRTP53
SCHEMBL14122344 0.72 MAPT (0.34) NPC1RAB9AMAPTAPLNRTP53
SCHEMBL14214195 0.71 PRSS1 (0.35) MAPTHPGDSMN1; SMN2RIPK1RORC

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 9 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-8846659-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 — — US disclosed
EP-2649074-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-10-16 — — EP 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
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 NPC1 463/4885RAB9A 3210/4885MAPT 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.