SCHEMBL21140432

SCHEMBL21140432

Cc1cccc2c1cnn2C(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
EZH2 Q15910 1/20 0.44
POLB P06746 1/20 0.41
PDE9A O76083 1/20 0.41
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 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
SCHEMBL19531869 0.80 CYP11B1 (0.48) CYP11B1CYP11B2EZH2PDE9AHTR2A
SCHEMBL21733234 0.80 ADRA2A (0.41) EZH2PDE9ANPC1RAB9AKMT2A
SCHEMBL4953281 0.80 EZH2 (0.41) CYP11B1CYP11B2EZH2PDE9AKMT2A
SCHEMBL29303420 0.80 EZH2 (0.39) CYP11B1CYP11B2EZH2PDE9ANPC1
SCHEMBL30975428 0.80 EZH2 (0.39) CYP11B1CYP11B2EZH2PDE9ANPC1
SCHEMBL12120875 0.80 EZH2 (0.39) CYP11B1CYP11B2EZH2PDE9AHTR2C
SCHEMBL20353817 0.77 EZH2 (0.37) CYP11B1CYP11B2EZH2PDE9A
SCHEMBL19910588 0.77 EZH2 (0.42) EZH2POLBPDE9A
SCHEMBL15687199 0.76 EZH2 (0.41) EZH2PDE9ARAB9AKMT2A
SCHEMBL24339586 0.75 NPC1 (0.41) CYP11B1CYP11B2POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 US 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-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF LOXL2, LOXL1, LOXL3 CYP11B1 2303/4885CYP11B2 1042/4885EZH2 4607/4885

“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.