SCHEMBL2086812

SCHEMBL2086812

CN(C(=O)CC#N)c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MAPT P10636 1/20 0.39
BTK Q06187 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PIK3CA P42336 1/20 0.37
AGTR2 P50052 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
SCHEMBL3266445 0.81 POLQ (0.45) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL11351438 0.81 GPBAR1 (0.41) GPBAR1CES2CES1ALDH1A1LTB4R2
SCHEMBL11209904 0.80 KMT2A (0.52) ALDH1A1KMT2AMEN1
SCHEMBL31606583 0.80 GPBAR1 (0.40) GPBAR1CES2CES1ALDH1A1KMT2A
SCHEMBL2125940 0.80 GPBAR1 (0.40) GPBAR1CES2CES1ALDH1A1KMT2A
SCHEMBL28746573 0.78 LTB4R2 (0.47) ALDH1A1KDM4ELTB4R2
SCHEMBL25733544 0.78 ALDH1A1 (0.47) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL8867493 0.76 KMT2A (0.37) MAPTBTKALDH1A1KMT2AKDM4E
SCHEMBL8867489 0.76 KMT2A (0.37) MAPTBTKALDH1A1KMT2AKDM4E
SCHEMBL8867496 0.76 KMT2A (0.37) MAPTBTKALDH1A1KMT2AKDM4E

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 GPBAR1 1702/4885CES2 3021/4885CES1 1038/4885

“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.