SCHEMBL10314604

SCHEMBL10314604

COc1c(C=O)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 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
SCHEMBL10314551 0.90 MEN1 (0.42) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL10314583 0.89 KMT2A (0.44) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL10314575 0.89 SMN1; SMN2 (0.42) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL1062302 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL10314576 0.85 ALDH1A1 (0.40) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL17677371 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL1055219 0.82 KMT2A (0.48) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL13708843 0.80 LMNA (0.47) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL1060229 0.79 SMN1; SMN2 (0.52) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL3425434 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1

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-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMN1; SMN2 3564/4885MEN1 1922/4885ALDH1A1 745/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 SMN1; SMN2 3559/4885MEN1 2094/4885ALDH1A1 776/4885

“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.