SCHEMBL2088147

SCHEMBL2088147

N#CCC(=O)N1CCc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
NOTUM Q6P988 1/20 0.57
DPP8 Q6V1X1 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
DPP7 Q9UHL4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
TAS1R2 Q8TE23 1/20 0.56
MAPT P10636 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
TSHR P16473 2/20 0.55

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
SCHEMBL22784252 0.80 NOTUM (0.64) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL29676811 0.79 NOTUM (0.62) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL30297726 0.79 NPC1 (0.64) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL5253678 0.79 NOTUM (0.62) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL303340 0.79 NOTUM (0.67) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL1545565 0.79 NPC1 (0.64) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL13487186 0.79 NOTUM (0.67) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL7929895 0.79 HDAC3 (0.70) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL7299747 0.79 NOTUM (0.62) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC10
SCHEMBL20537078 0.78 HSD17B3 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E

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 ALDH1A1 67/4885SMN1; SMN2 3745/4885HDAC3 117/4885

“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.