Sugi Predict

Sugi Predict / Compounds / SCHEMBL7985113

SCHEMBL7985113

SCHEMBL7985113

CC(C)(C)OC(=O)N1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.64
▸ MAPT P10636 8/20 0.64
▸ LMNA P02545 7/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ HPGD P15428 2/20 0.56
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ WDR5 P61964 1/20 0.49

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
SCHEMBL31639389 0.95 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL2531674 0.95 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL7980470 0.89 ALDH1A1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL30962706 0.89 ALDH1A1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL6495866 0.88 ALDH1A1 (0.63) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL31639893 0.88 ALDH1A1 (0.63) ALDH1A1MAPTLMNAHPGDMEN1
SCHEMBL25404908 0.86 ALDH1A1 (0.70) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL13419584 0.86 ALDH1A1 (0.60) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL6052515 0.86 LMNA (0.67) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL30207468 0.86 ALDH1A1 (0.58) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 — — US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 — — US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 — — US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 — — US disclosed
US-6333320-B1 USEFUL AS DRUGS, ESPECIALLY AS AN ACTIVATED BLOOD COAGULATION FACTOR X INHIBITOR Yamanouchi Pharmaceutical Co. (JP) 2001-12-25 — — US disclosed
EP-1000936-A1 NOVEL HEXAHYDRO-1,4-DIAZEPINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-05-17 — — EP 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-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 ALDH1A1 2263/4885MAPT 4713/4885LMNA 2990/4885

“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.