SCHEMBL1768858

SCHEMBL1768858

CC(C)(C)/C(=C\c1ccc(N)nc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.42
GABRD O14764 4/20 0.42
GABRA1 P14867 4/20 0.42
GABRB1 P18505 4/20 0.42
GABRG2 P18507 4/20 0.42
GABRB3 P28472 4/20 0.42
GABRA5 P31644 4/20 0.42
GABRA3 P34903 4/20 0.42
GABRA2 P47869 4/20 0.42
GABRB2 P47870 4/20 0.42
GABRA4 P48169 4/20 0.42
GABRE P78334 4/20 0.42
GABRA6 Q16445 4/20 0.42
GABRG1 Q8N1C3 4/20 0.42
GABRG3 Q99928 4/20 0.42
GABRQ Q9UN88 4/20 0.42
NNMT P40261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CPB2 Q96IY4 3/20 0.38
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL1768859 1.00 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13719313 0.79 IDH1 (0.43) NNMTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL23722452 0.79 IDH1 (0.43) NNMTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL2272168 0.79 AKR1C3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2272174 0.79 AKR1C3 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL2274905 0.78 AKR1C3 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23722448 0.77 PADI4 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL16176960 0.74 TUBB4A (0.33) SMN1; SMN2KDM4EALDH1A1GAACYP2C9
SCHEMBL16176961 0.74 TUBB4A (0.33) SMN1; SMN2KDM4EALDH1A1GAACYP2C9
SCHEMBL1879689 0.74 EGFR (0.34) SMN1; SMN2KDM4EALDH1A1HDAC1HDAC6

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-9321769-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2016-04-26 US disclosed
US-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA S.A.S. (FR) 2015-08-20 US disclosed
WO-2011061214-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FAB PHARMA SAS (FR) 2011-05-26 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-20150232466-A1 NOVEL HETEROCYCLIC ACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS ACR, AADAC, AAAS GABRP 2175/4885GABRD 1514/4885GABRA1 2204/4885

“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.