SCHEMBL16403258

SCHEMBL16403258

Cc1c(C(=O)O)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.70
CHRNA7 P36544 8/20 0.63
CYP2D6 P10635 1/20 0.59
ALDH1A1 P00352 2/20 0.55
PLK1 P53350 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL5922325 0.94 NOTUM (0.67) NOTUMCHRNA7CYP2D6ALDH1A1PLK1
SCHEMBL3025893 0.89 CHRNA7 (0.83) CHRNA7CYP2D6
SCHEMBL4638659 0.85 NOTUM (0.70) NOTUMCHRNA7ALDH1A1PLK1
SCHEMBL19798360 0.84 CHRNA7 (0.70) NOTUMCHRNA7CYP2D6ALDH1A1PLK1
SCHEMBL4465707 0.83 NOTUM (0.63) NOTUMCHRNA7ALDH1A1
SCHEMBL2449412 0.83 PLK1 (0.73) NOTUMCHRNA7ALDH1A1PLK1
SCHEMBL1980763 0.83 NOTUM (1.00) NOTUMALDH1A1
SCHEMBL16403251 0.82 CHRNA7 (0.81) CHRNA7CYP2D6ALDH1A1
SCHEMBL5922384 0.82 MAPT (0.68) NOTUMCHRNA7CYP2D6ALDH1A1PLK1
SCHEMBL3019756 0.81 CHRNA7 (0.54) NOTUMCHRNA7CYP2D6

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-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US disclosed
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US disclosed
US-9657037-B2 Pyrrole compounds with silicon incorporation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-05-23 US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
US-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-28 US disclosed
WO-2014195970-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-11 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-20160115181-A1 NOVEL PYRROLE COMPOUNDS WITH SILICON INCORPORATION PYCR1, MIF, PGLS NOTUM 2530/4885CHRNA7 4874/4885CYP2D6 1778/4885

“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.