SCHEMBL4081833

SCHEMBL4081833

NC(=O)c1ccc2c(c1)ncn2N1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
GPR183 P32249 4/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P4HB P07237 2/20 0.41
CCR2 P41597 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
FGFR1 P11362 1/20 0.40
MAOB P27338 2/20 0.39
MAPK1 P28482 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
SCHEMBL4081838 0.77 LMNA (0.51) LMNAGPR183ALDH1A1HPGDTP53
SCHEMBL4081842 0.75 LMNA (0.51) LMNAGPR183ALDH1A1HPGDTP53
SCHEMBL4081675 0.74 SCD (0.50) ALDH1A1HPGDFGFR1
SCHEMBL4096004 0.73 HRH3 (0.46) HPGD
SCHEMBL1063378 0.72 GPR183 (0.57) LMNAGPR183ALDH1A1HPGDTP53
SCHEMBL7697520 0.72 LMNA (0.45) LMNAGPR183ALDH1A1HPGDTP53
SCHEMBL5374601 0.71 FGFR1 (0.50) HPGDFGFR1
SCHEMBL4088461 0.71 OPRM1 (0.44) LMNAALDH1A1FGFR1
SCHEMBL4085560 0.70 HPGD (0.54) ALDH1A1HPGDSMN1; SMN2FGFR1MAPK1
SCHEMBL31505202 0.69 LMNA (0.57) LMNAALDH1A1HPGDTP53SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US claimed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US claimed
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS JUNG BIRGIT 2009-01-15 US disclosed
US-20070123516-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2007-05-31 US disclosed
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-02-16 US disclosed
US-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-04 US disclosed
US-20030220336-A1 Method of treating mucus hypersecretion BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-27 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 (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-20030225089-A1 Pharmaceutical compositions based on anticholinergics and p38 kinase inhibitors CHRM3, CHRM2, CHRNB1 LMNA 3362/4885GPR183 268/4885ALDH1A1 3663/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 LMNA 3309/4885GPR183 140/4885ALDH1A1 3462/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 LMNA 4233/4885GPR183 229/4885ALDH1A1 2978/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 LMNA 3309/4885GPR183 140/4885ALDH1A1 3462/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 LMNA 4233/4885GPR183 229/4885ALDH1A1 2978/4885

“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.