SCHEMBL263436

SCHEMBL263436

CC(C)(C)c1ccc2nc(C(=O)NCc3ccnc4ccccc34)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NOD2 Q9HC29 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
SCN9A Q15858 5/20 0.44
KDR P35968 2/20 0.43
FLT1 P17948 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41

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
Hydrochloric Acid SCHEMBL264982 0.99 MEN1 (0.47) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL14147908 0.90 SCN9A (0.52) MEN1KMT2ANPC1RAB9AADORA2A
SCHEMBL269559 0.85 SMN1; SMN2 (0.49) MEN1KMT2ARAB9AADORA2AADORA1
SCHEMBL4547702 0.81 MEN1 (0.44) MEN1KMT2ANOD2SCN9AHDAC3
SCHEMBL265197 0.80 PPARG (0.41) MEN1KMT2ASCN9AKDRFLT1
SCHEMBL269287 0.80 PPARG (0.41) MEN1KMT2ASCN9AKDRFLT1
Hydrochloric Acid SCHEMBL264053 0.79 PPARG (0.41) MEN1KMT2ASCN9AKDRFLT1
SCHEMBL2905066 0.78 SCN9A (0.43) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL1842100 0.75 TP53 (0.46) MEN1KMT2ANPC1RAB9ASCN9A
SCHEMBL4787180 0.74 FLT1 (0.48) ADORA2AADORA1KDRFLT1HDAC3

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 MEN1 4051/4885KMT2A 4132/4885NPC1 443/4885

“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.