SCHEMBL4919141

SCHEMBL4919141

Cc1ccc(Cl)c(C#N)[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
GSR P00390 1/20 0.30
TSHR P16473 1/20 0.30
VCAM1 P19320 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29560364 0.79 TSHR (0.37) TSHRKDM4EALDH1A1MAPT
SCHEMBL2955010 0.79 TSHR (0.37) TSHRKDM4EALDH1A1MAPT
SCHEMBL17316478 0.72 TSHR (0.39) TSHRVCAM1KDM4EALDH1A1MAPT
SCHEMBL7844027 0.65 DYRK1A (0.34) GSRTSHRKDM4EALDH1A1MAPT
SCHEMBL11293059 0.64 TSHR (0.39) TSHRKDM4EALDH1A1MAPT
SCHEMBL10552293 0.63 TSHR (0.33) TSHRKDM4EALDH1A1
SCHEMBL11956555 0.63 KDM4E (0.38) GPR84TSHRKDM4EALDH1A1MAPT
SCHEMBL8270010 0.63 HDAC8 (0.42) TSHRALDH1A1
SCHEMBL11689845 0.61 TSHR (0.40) TSHRKDM4EALDH1A1MAPT
SCHEMBL1348478 0.60 ALDH1A1 (0.32) GPR84KDM4EALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176906-A1 Substituted Pyrrole Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 US disclosed
EP-1824841-A1 SUBSTITUTED PYRROLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-08-29 EP disclosed
WO-2006064944-A1 SUBSTITUTED PYRROLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20080176906-A1 Substituted Pyrrole Derivative AR, NR5A1, MC2R GPR84 265/4885GSR 1759/4885TSHR 165/4885

“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.