SCHEMBL3583696

SCHEMBL3583696

O=C1C=C(Nc2cccc3cnc(Cl)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.39
MT-CO2 P00403 1/20 0.37
ALDH1A1 P00352 1/20 0.34
MAPK10 P53779 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
CDC25B P30305 1/20 0.32
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
FADS1 O60427 1/20 0.31

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
SCHEMBL3577896 0.93 MT-CO2 (0.44) TRPV1MT-CO2ALDH1A1MAPK10CHRM1
SCHEMBL24150857 0.71 TRPV1 (0.41) TRPV1ALDH1A1CHRM1FADS1PKM
SCHEMBL9344678 0.70 DHODH (0.46) MT-CO2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL3220136 0.70 PDE4B (0.45) TRPV1MT-CO2ALDH1A1MAPK1PDE4B
SCHEMBL17336651 0.70 TRPV1 (0.51) TRPV1CYP3A4CYP2D6KMT2AKDR
SCHEMBL27663640 0.69 GAA (0.57) TRPV1ALDH1A1MEN1KMT2AKDR
SCHEMBL11816879 0.69 TRPV1 (0.50) TRPV1ALDH1A1CASP6MEN1KMT2A
SCHEMBL31047646 0.65 CYP1A2 (0.46) TRPV1ALDH1A1CHRM1CYP3A4EGFR
SCHEMBL31047649 0.65 CYP1A2 (0.46) TRPV1ALDH1A1CHRM1CYP3A4EGFR
SCHEMBL18791346 0.65 CYP1A2 (0.46) TRPV1ALDH1A1CHRM1CYP3A4EGFR

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-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
US-20100069360-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 US disclosed
EP-2064212-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS Novartis AG (CH) 2009-06-03 EP disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 WO disclosed
WO-2008025512-A1 PYRROLO ISOQUINOLINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2008-03-06 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-20100069360-A1 ORGANIC COMPOUNDS SLCO1B3, CYP3A7, SLCO1B1 TRPV1 1046/4885MT-CO2 3372/4885ALDH1A1 139/4885

“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.