SCHEMBL2087151

SCHEMBL2087151

N#CCC(=O)N(CC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
POLQ O75417 1/20 0.39
ALDH1A1 P00352 6/20 0.39
GLA P06280 2/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MLYCD O95822 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL11647636 0.79 TSHR (0.59) HSD17B10USP2MEN1KMT2AALDH1A1
SCHEMBL7624337 0.78 ALDH1A1 (0.47) LMNAMEN1KMT2ANPC1ALDH1A1
SCHEMBL2086991 0.78 NPC1 (0.63) MEN1KMT2ANPC1ALDH1A1GLA
SCHEMBL6216584 0.76 TP53 (0.58) HSD17B10USP2MEN1KMT2ANPC1
SCHEMBL11202999 0.74 KMT2A (0.57) LMNAHSD17B10USP2MEN1KMT2A
SCHEMBL2085612 0.74 NPC1 (0.58) HSD17B10USP2MEN1KMT2ANPC1
SCHEMBL11209904 0.71 KMT2A (0.52) LMNAMEN1KMT2APOLQALDH1A1
SCHEMBL2087859 0.70 CHRM2 (0.47) MEN1KMT2ANPC1ALDH1A1GLA
SCHEMBL11871479 0.69 ALDH1A1 (0.60) LMNAHSD17B10USP2MEN1KMT2A
SCHEMBL5370995 0.69 ALOX5 (0.39) LMNAALDH1A1GLATSHRHTR2A

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-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT LMNA 1896/4885HSD17B10 620/4885USP2 2442/4885

“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.