SCHEMBL798135

SCHEMBL798135

O=C1CNCc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.47
METAP1 P53582 1/20 0.44
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
PPOX P50336 1/20 0.42
S100A4 P26447 2/20 0.42
AHR P35869 2/20 0.42
SRD5A1 P18405 2/20 0.41
F7 P08709 1/20 0.40
PARP1 P09874 1/20 0.40
F3 P13726 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CES1 P23141 1/20 0.39
SRD5A2 P31213 1/20 0.39
CMA1 P23946 1/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
MET P08581 1/20 0.38
FGFR1 P11362 1/20 0.38

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
SCHEMBL24699612 0.85 F7 (0.47) PNMTMETAP1HTR2AHTR2CHTR2B
SCHEMBL29830139 0.77 PARP10 (0.47) PNMTMETAP1S100A4AHRSRD5A1
SCHEMBL28798949 0.77 PARP10 (0.47) PNMTMETAP1S100A4AHRSRD5A1
SCHEMBL15467844 0.76 CES1 (0.35) PNMTHTR2AHTR2CHTR2BAHR
Hydrochloric Acid SCHEMBL30644256 0.76 PARP10 (0.46) PNMTMETAP1S100A4AHRSRD5A1
SCHEMBL329312 0.74 PNMT (0.69) PNMTMETAP1HTR2AHTR2CHTR2B
SCHEMBL31239363 0.74 CES1 (0.48) PNMTMETAP1PPOXS100A4AHR
SCHEMBL9477764 0.74 NTRK1 (0.59) METAP1PPOXS100A4F7PARP1
SCHEMBL31029247 0.74 CASP1 (0.59) METAP1S100A4SRD5A1SRD5A2TYMS
SCHEMBL28603 0.74 CASP1 (0.59) METAP1S100A4SRD5A1SRD5A2TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 PNMT 2315/4885METAP1 1354/4885HTR2A 3716/4885

“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.