SCHEMBL13401787

SCHEMBL13401787

CNC(=O)Nc1ncc(C)s1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
MAPT P10636 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
NPC1 O15118 9/20 0.57
EPHX2 P34913 1/20 0.56
PKM P14618 4/20 0.54
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL3794688 0.82 RAB9A (0.62) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2175131 0.81 RAB9A (0.60) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28089066 0.80 FFAR2 (0.50) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6474925 0.79 RAB9A (0.58) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL26818237 0.79 RAB9A (0.58) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6285776 0.78 RAB9A (0.74) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL15943684 0.78 RAB9A (0.57) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3040422 0.78 RAB9A (0.57) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6284862 0.77 RAB9A (0.59) RAB9ASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6361249 0.76 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2MEN1KMT2AMAPT

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-20100105745-A1 Suppression of cancer and method for evaluating anticancer agent based on the effect of inhibiting gsk3 beta NATIONAL UNIVERSITY CORPORATION KANAZAWA UNIVERSITY (JP) 2010-04-29 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-20100105745-A1 Suppression of cancer and method for evaluating anticancer agent based on the effect of inhibiting gsk3 beta GSK3B, GSK3A, GSKIP RAB9A 3465/4885SMN1; SMN2 2592/4885MEN1 3680/4885

“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.