SCHEMBL9004062

SCHEMBL9004062

CC(=O)c1cccc(CC#N)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.51
ENPP2 Q13822 1/20 0.50
MMP3 P08254 1/20 0.47
MAOA P21397 3/20 0.47
FFAR1 O14842 1/20 0.44
IL4I1 Q96RQ9 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2705263 0.84 FOLH1 (0.59) ENPP2MMP3FFAR1MRGPRX4
SCHEMBL29471974 0.84 FOLH1 (0.59) ENPP2MMP3FFAR1MRGPRX4
SCHEMBL19014330 0.83 ENPP2 (0.47) ENPP2MMP3FFAR1NPC1LMNA
SCHEMBL6459667 0.83 MEN1 (0.61) MAOBMAOAIL4I1MRGPRX4
SCHEMBL2857119 0.82 ENPP2 (0.50) MAOBENPP2MMP3MAOAFFAR1
SCHEMBL11459736 0.82 ENPP2 (0.50) ENPP2MMP3FFAR1MRGPRX4NPC1
SCHEMBL5437219 0.81 SLC7A5 (0.55) ENPP2MMP3FFAR1MRGPRX4HTT
SCHEMBL3407379 0.81 ENPP2 (0.46) MAOBENPP2MMP3FFAR1MRGPRX4
SCHEMBL29539688 0.81 LOXL2 (0.64) ENPP2MRGPRX4NPC1MAPTHTT
SCHEMBL40562 0.81 LOXL2 (0.64) ENPP2MRGPRX4NPC1MAPTHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 US disclosed
WO-2017103188-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-22 WO disclosed
EP-0733037-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1996-09-25 EP disclosed
WO-1995015941-A1 ARYL SUBSTITUTED AMINO ACIDS, CNS INFLUENCING AGENTS UNIVERSITY OF BRISTOL (GB) 1995-06-15 WO 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-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 MAOB 2444/4885ENPP2 393/4885MMP3 718/4885

“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.