SCHEMBL2851692

SCHEMBL2851692

COc1ccc(-c2cnc(Cl)c(C=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.51
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAP4K4 O95819 2/20 0.42
NFE2L2 Q16236 1/20 0.42
CHEK2 O96017 1/20 0.42
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL5126305 0.82 MAP4K4 (0.54) ERN1PDGFRBPDGFRACA12CA9
SCHEMBL31533239 0.80 ERN1 (0.44) ERN1MEN1KMT2AALDH1A1MAP4K4
SCHEMBL29954031 0.80 ERN1 (0.44) ERN1MEN1KMT2AALDH1A1MAP4K4
SCHEMBL2847202 0.79 ALDH1A1 (0.51) ERN1PDGFRBPDGFRAMEN1KMT2A
SCHEMBL11153472 0.78 ERN1 (0.51) ERN1PDGFRBPDGFRAKMT2AALDH1A1
SCHEMBL12427764 0.76 ERN1 (0.54) ERN1MEN1KMT2AALDH1A1MAP4K4
SCHEMBL23905081 0.73 ALDH1A1 (0.45) ERN1PDGFRBPDGFRAMEN1KMT2A
SCHEMBL15665765 0.73 ALDH1A1 (0.47) ERN1MEN1KMT2AALDH1A1TRIM24
SCHEMBL19854388 0.72 ERN1 (0.58) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL9045345 0.72 PDGFRB (0.45) ERN1PDGFRBPDGFRAALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666883-B2 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-23 US claimed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP claimed
EP-1924558-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-28 EP claimed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 US claimed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 WO claimed
US-7666883-B2 2-[(2-Chloro-5-methyl pyridine-3-yl)(hydroxy)methyl]acrylonitrile; against chloroquine sensitive and chloroquine resistant Plasmodium falciparum; treating malarial; chemical preparation COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2010-02-23 US disclosed
EP-1924558-B1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2010-01-13 EP disclosed
EP-1924558-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-05-28 EP disclosed
US-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-05-24 US disclosed
WO-2007032016-A1 AN ANTIMALARIAL BAYLIS-HILLMAN ADDUCTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-22 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-20070117822-A1 Novel antimalarial baylis-hillman adducts and a process for the preparation thereof HBS1L, SSBP1, QARS1 ERN1 4471/4885PDGFRB 2732/4885PDGFRA 1979/4885

“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.