SCHEMBL12376735

SCHEMBL12376735

CC(C)NC(=O)Cc1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HSD17B10 Q99714 2/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 1/20 0.62
POLB P06746 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTT P42858 2/20 0.56
PIN1 Q13526 1/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
DDAH1 O94760 1/20 0.51
CHRM1 P11229 1/20 0.51

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
SCHEMBL12409534 0.84 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL21274521 0.82 PIN1 (0.57) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL21274517 0.82 PIN1 (0.57) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL10035809 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL5307911 0.81 KDM4E (0.74) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL17773180 0.81 ALDH1A1 (0.62) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL10337354 0.79 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL15685943 0.78 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL22640049 0.78 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL22640060 0.78 HTT (0.64) ALDH1A1KDM4ESMN1; SMN2HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ALDH1A1 1635/4885KDM4E 3968/4885SMN1; SMN2 2264/4885

“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.