Sugi Predict

Sugi Predict / Compounds / SCHEMBL1669331

SCHEMBL1669331

SCHEMBL1669331

Cn1c(N2CCOCC2)nc(-c2nc(Cc3ccc(F)cc3)no2)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PIK3CD O00329 4/20 0.36
▸ PIK3CB P42338 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL12225285 0.84 ALDH1A1 (0.36) PLATALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL1669189 0.83 ALDH1A1 (0.40) ALDH1A1CYP1A2HSD17B10CYP3A4TSHR
SCHEMBL823506 0.81 SLC2A1 (0.40) PLATALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL1671826 0.80 PLAT (0.43) PLATGLAKMT2A
SCHEMBL1672331 0.78 APLNR (0.39) PLATALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL6093745 0.73 KCNE1 (0.52) ALDH1A1GLANPSR1KDM4EHPGD
SCHEMBL12198942 0.72 HTR6 (0.33) PLATSTAT6SMN1; SMN2KMT2AGAA
SCHEMBL10101646 0.70 ENPP2 (0.37) PLATALDH1A1CYP1A2HSD17B10CYP3A4
SCHEMBL823620 0.69 NR1I3 (0.45) PLATCYP3A4TSHRPIK3CDPIK3CB
SCHEMBL823616 0.69 SLC2A1 (0.38) ALDH1A1CYP1A2HSD17B10TSHRCASP1

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-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US claimed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US claimed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
US-8383639-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-26 — — US disclosed
EP-2488517-A1 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2012-08-22 — — EP disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
US-20110245241-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 — — US disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 — — WO disclosed
WO-2011046873-A1 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 — — 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-20110245241-A1 HIV Integrase Inhibitors DNTT, POLB, UNG PLAT 2166/4885ALDH1A1 539/4885CYP1A2 681/4885

“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.