SCHEMBL12376783

SCHEMBL12376783

CC(C)(C)c1cnc2n(c1=O)CCN2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 6/20 0.41
TP53 P04637 4/20 0.40
THRB P10828 2/20 0.40
POLB P06746 4/20 0.36
LMNA P02545 2/20 0.36
CLPP Q16740 1/20 0.36
LOX P28300 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL14459730 0.82 TP53 (0.43) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL2282937 0.78 NPC1 (0.44) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL15113582 0.66 ALDH1A1 (0.50) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL12376780 0.63 KDM4E (0.41) POLBALDH1A1HPGD
SCHEMBL11043888 0.62 KDM4E (0.51) MEN1KMT2AMAPTTP53THRB
SCHEMBL610584 0.61 NPC1 (1.00) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL17704774 0.61 NPC1 (0.73) NPC1MEN1RAB9AKMT2AMAPT
SCHEMBL13762123 0.61 MEN1 (0.64) NPC1MEN1RAB9AKMT2ASIGMAR1
SCHEMBL12376777 0.61 CYP1A2 (0.43) MEN1KMT2APOLBLMNAALDH1A1
SCHEMBL783438 0.61 ADORA3 (0.46) NPC1RAB9AMAPTTP53POLB

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
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US 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 NPC1 1260/4885MEN1 3149/4885RAB9A 2056/4885

“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.