SCHEMBL797994

SCHEMBL797994

CCn1c2c(c3ccccc31)CC(C)NC2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 5/20 0.46
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
PDE5A O76074 1/20 0.44
KDM4E B2RXH2 6/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
PER2 O15055 2/20 0.41
TSHR P16473 2/20 0.40
CREBBP Q92793 2/20 0.39
BRD4 O60885 1/20 0.39
RCE1 Q9Y256 1/20 0.39
PGR P06401 1/20 0.39
RECQL P46063 1/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 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
SCHEMBL797767 0.75 PDE5A (0.52) MEN1KMT2AALDH1A1GSK3AGSK3B
SCHEMBL793795 0.67 CYP11B2 (0.48) ALDH1A1GSK3AGSK3BPDE5AKDM4E
SCHEMBL116890 0.65 ALDH1A1 (1.00) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL11530229 0.65 ALDH1A1 (0.50) MEN1KMT2AALDH1A1GSK3AGSK3B
SCHEMBL27503797 0.64 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GSK3AGSK3B
SCHEMBL151563 0.64 ALDH1A1 (0.75) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL29360167 0.64 ALDH1A1 (0.75) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL29963695 0.64 ALDH1A1 (0.75) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL17567426 0.64 GSK3B (0.51) MEN1KMT2AALDH1A1GSK3AGSK3B
Formaldehyde SCHEMBL27505377 0.63 ALDH1A1 (0.73) MEN1KMT2AALDH1A1KDM4EPOLB

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 9 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-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
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
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 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
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 MEN1 861/4885KMT2A 660/4885ALDH1A1 68/4885

“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.