SCHEMBL4081842

SCHEMBL4081842

NC(=O)c1ccc2nc(N3CCN(C(=O)C=Cc4cccc(C(F)(F)F)c4)CC3)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGLL Q99685 4/20 0.46
CHEK2 O96017 1/20 0.46
NPY5R Q15761 1/20 0.45
GPR183 P32249 1/20 0.44

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 0.93 LMNA (0.51) LMNAALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL4081833 0.75 LMNA (0.47) LMNAALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL4081681 0.75 SCD (0.52) MGLLCHEK2NPY5R
SCHEMBL4096012 0.73 MGLL (0.63) MGLLCHEK2NPY5R
SCHEMBL5374610 0.72 NPY5R (0.58) CHEK2NPY5R
SCHEMBL1063378 0.71 GPR183 (0.57) LMNAALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL4088468 0.71 NPY5R (0.51) ALDH1A1CHEK2NPY5R
SCHEMBL31505202 0.70 LMNA (0.57) LMNAALDH1A1TP53HPGDSMN1; SMN2
SCHEMBL4085567 0.70 HTR2B (0.56) TP53HPGDSMN1; SMN2MGLLCHEK2
SCHEMBL2419558 0.70 MAPT (0.55)

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 3362/4885ALDH1A1 3663/4885TP53 4409/4885
US-20090017036-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BDKRB2, EDNRB, GRK5 LMNA 3309/4885ALDH1A1 3462/4885TP53 4150/4885
US-20070123516-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 LMNA 4233/4885ALDH1A1 2978/4885TP53 4484/4885
US-20060035893-A1 Pharmaceutical compositions for treatment of respiratory and gastrointestinal disorders BDKRB2, EDNRB, GRK5 LMNA 3309/4885ALDH1A1 3462/4885TP53 4150/4885
US-20030220336-A1 Method of treating mucus hypersecretion MUC1, CFTR, MAPKAPK5 LMNA 4233/4885ALDH1A1 2978/4885TP53 4484/4885

“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.