Sugi Predict

Sugi Predict / Compounds / SCHEMBL3757160

SCHEMBL3757160

SCHEMBL3757160

O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(F)c3)o2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.76
▸ NPC1 O15118 5/20 0.76
▸ ALDH1A1 P00352 4/20 0.76
▸ MAPT P10636 4/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.76
▸ CA1 P00915 2/20 0.64
▸ CA2 P00918 2/20 0.64
▸ CA9 Q16790 2/20 0.64
▸ CA13 Q8N1Q1 2/20 0.64
▸ KDM4E B2RXH2 2/20 0.61
▸ PSMB8 P28062 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ GUSB P08236 1/20 0.52
▸ GABRP O00591 1/20 0.51
▸ GABRD O14764 1/20 0.51
▸ GABRA1 P14867 1/20 0.51
▸ GABRB1 P18505 1/20 0.51
▸ GABRG2 P18507 1/20 0.51
▸ GABRB3 P28472 1/20 0.51
▸ GABRA5 P31644 1/20 0.51

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
SCHEMBL10245542 0.86 NPC1 (1.00) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14782125 0.84 TSHR (0.59) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL656666 0.82 NPC1 (0.76) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7531870 0.81 NPC1 (0.78) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL28372775 0.81 NPC1 (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL29006444 0.81 NPC1 (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2837185 0.81 RAB9A (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL30362152 0.81 NPC1 (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4607599 0.81 RAB9A (0.73) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3612124 0.80 NPC1 (0.72) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 — — US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 — — US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 — — US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 — — US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 — — US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 — — US 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 (2 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 RAB9A 4106/4885NPC1 778/4885ALDH1A1 1386/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 RAB9A 4106/4885NPC1 778/4885ALDH1A1 1386/4885

“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.