Sugi Predict

Sugi Predict / Compounds / SCHEMBL1365397

SCHEMBL1365397

SCHEMBL1365397

Cc1ccc(/C=C/[N+](=O)[O-])s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 10/20 0.48
▸ MAPT P10636 5/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ EGFR P00533 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL1365399 1.00 FBP1 (0.48) FBP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL14038723 0.82 MAPT (0.45) MAPTSMN1; SMN2RAB9ANPC1CASP3
SCHEMBL2075986 0.77 FBP1 (0.48) FBP1MAPTSMN1; SMN2ALDH1A1PTGS1
SCHEMBL2075985 0.77 FBP1 (0.48) FBP1MAPTSMN1; SMN2ALDH1A1PTGS1
SCHEMBL793301 0.77 FBP1 (0.42) FBP1MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL8138170 0.77 MAPT (0.53) FBP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL793300 0.77 FBP1 (0.42) FBP1MAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL8138167 0.77 MAPT (0.53) FBP1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL16785380 0.77 FBP1 (0.49) FBP1MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL18106502 0.77 FBP1 (0.49) FBP1MAPTSMN1; SMN2ALDH1A1LMNA

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029983-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-24 — — US disclosed
US-20180044290-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2018-02-15 — — US disclosed
US-9822069-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2017-11-21 — — US disclosed
US-20170066718-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 — — US disclosed
CN-101318961-B Fused heterocyclic compound JANSSEN PHARMACEUTICA NV 2012-11-28 — — CN disclosed
US-8067598-B2 Heterofused piperidines as orexin antagonists HOFFMAN-LA ROCHE INC. (US) 2011-11-29 — — US disclosed
US-8067598-B2 Heterofused piperidines as orexin antagonists HOFFMAN-LA ROCHE INC. (US) 2011-11-29 — — US disclosed
EP-2144906-B1 HETEROCYCLES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 — — EP disclosed
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 — — US disclosed
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 — — US disclosed
EP-1644320-B1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS LILLY CO ELI (US) 2008-01-16 — — EP disclosed
US-7265246-B2 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-09-04 — — US disclosed
US-20070060587-A1 Indane derivates as muscarinic receptor agonists ELI LILLY AND COMPANY (US) 2007-03-15 — — US disclosed
CN-1882590-A Fused heterocyclic compounds as serotonin receptor modulators JOHNSON & JOHNSON (BE) 2006-12-20 — — CN disclosed
EP-1668014-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-14 — — EP disclosed
EP-1644320-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-04-12 — — EP disclosed
US-20050119295-A1 Fused heterocyclic compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — US disclosed
WO-2005040169-A2 FUSED HETEROCYCLIC COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-06 — — WO disclosed
WO-2005009941-A1 INDANE DERIVATES AS MUSCARINIC RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-02-03 — — WO disclosed
WO-1988003148-A2 HETEROAROMATIC DERIVATIVES OF ADENOSIDE WARNER-LAMBERT COMPANY (US) 1988-05-05 — — 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 (5 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-20050119295-A1 Fused heterocyclic compounds TPH1, HTR3A, HTR3B FBP1 1093/4885MAPT 823/4885SMN1; SMN2 1604/4885
US-20070060587-A1 Indane derivates as muscarinic receptor agonists CHRM1, CHRM3, CHRM2 FBP1 2718/4885MAPT 2820/4885SMN1; SMN2 3691/4885
US-10029983-B2 Urea derivative or pharmacologically acceptable salt thereof FPR1, FPR2, FPR3 FBP1 898/4885MAPT 3087/4885SMN1; SMN2 3809/4885
US-20170066718-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, FPR3 FBP1 898/4885MAPT 3087/4885SMN1; SMN2 3809/4885
US-20180044290-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, FPR3 FBP1 898/4885MAPT 3087/4885SMN1; SMN2 3809/4885

“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.