SCHEMBL4875399

SCHEMBL4875399

CSc1ccc(Cl)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
VCAM1 P19320 1/20 0.44
TRPV4 Q9HBA0 1/20 0.38
PGK1 P00558 1/20 0.38
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
SLC22A12 Q96S37 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL3753905 0.84 TRPV4 (0.52) MAOAMAOBTRPV4PGK1CYP11B1
SCHEMBL12126140 0.81 MAOB (0.57) MAOAMAOBCYP11B1CYP11B2
SCHEMBL6894567 0.80 HSD17B10 (0.41) KMT2AHSD17B10KDM4EMEN1MAPT
SCHEMBL2397842 0.79 MAOB (0.49) MAOAMAOBVCAM1PGK1KDM4E
SCHEMBL15973611 0.78 TSHR (0.45) MAOAMAOBKMT2AHSD17B10KDM4E
SCHEMBL13946937 0.76 MCL1 (0.47) MAOAMAOBKMT2ASLC22A12MEN1
SCHEMBL6831166 0.76 MAPT (0.40) MAOAMAOBKMT2AKDM4EMEN1
SCHEMBL6833247 0.76 CYP11B1 (0.46) MAOAMAOBTRPV4KMT2AMEN1
SCHEMBL8779794 0.76 MAPT (0.47) MAOAMAOBKMT2AKDM4EMEN1
SCHEMBL19095244 0.76 MAOB (0.39) MAOAMAOBKMT2AMEN1MAPT

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-10426135-B2 Methyl- and trifluromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-10-01 US disclosed
US-20190150401-A1 Methyl- and Trifluromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2019-05-23 US disclosed
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 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 (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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 MAOA 170/4885MAOB 200/4885VCAM1 4075/4885

“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.