SCHEMBL3448232

SCHEMBL3448232

C#Cc1cccc(N2C(=O)c3ccc(C#C)cc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NR1H3 Q13133 1/20 0.43
SCN2A Q99250 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GRM5 P41594 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.38
USP2 O75604 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
SCHEMBL3447114 0.92 GRM5 (0.46) ESR1NPC1RAB9ANR1H3SCN2A
SCHEMBL13433467 0.92 GRM5 (0.46) ESR1NPC1RAB9ANR1H3SCN2A
SCHEMBL2624624 0.90 ESR1 (0.43) ESR1NPC1RAB9ANR1H3SCN2A
SCHEMBL10352333 0.90 NR1H3 (0.53) ESR1NPC1RAB9ANR1H3SCN2A
SCHEMBL14806847 0.88 MAPK1 (0.49) ESR1NPC1RAB9AMAPK1ALDH1A1
SCHEMBL13433469 0.85 ESR1 (0.42) ESR1NPC1RAB9AMAPK1ALDH1A1
SCHEMBL13433473 0.85 ESR1 (0.42) ESR1NPC1RAB9AMAPK1ALDH1A1
SCHEMBL22580699 0.84 HSD17B10 (0.60) RAB9AMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL29857329 0.84 HSD17B10 (0.60) RAB9AMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL11201186 0.84 BRD4 (0.56) ESR1NPC1RAB9AMAPK1ALDH1A1

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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME AMT LABORATORY CO., LTD. (JP) 2010-03-11 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-20100059261-A1 REACTIVE MONOMER AND RESIN COMPOSITION CONTAINING SAME RAD51, ACTR2, ARID2 ESR1 231/4885NPC1 4668/4885RAB9A 2304/4885

“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.