SCHEMBL4878258

SCHEMBL4878258

O=C(Cl)CCc1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.38
ADORA2A P29274 3/20 0.38
PIN1 Q13526 3/20 0.37
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
CASP1 P29466 1/20 0.37
ADORA1 P30542 1/20 0.36
POLB P06746 2/20 0.35
RNASEH1 O60930 1/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
CXCR2 P25025 1/20 0.35
KMT2A Q03164 2/20 0.35
GRK6 P43250 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL4880314 0.87 FFAR1 (0.47) ADORA3ADORA2ACYP1A2MAPK1CYP2C19
SCHEMBL4882878 0.84 NR4A2 (0.47) ADORA3ADORA2APIN1CYP1A2MAPK1
SCHEMBL27641126 0.80 ALPL (0.41) ADORA3ADORA2APIN1CYP1A2MAPK1
SCHEMBL30670275 0.80 MTOR (0.38) ADORA3ADORA2APIN1CYP1A2MAPK1
SCHEMBL4878314 0.80 MAPT (0.53) ADORA3ADORA2AMAPK1L3MBTL1LMNA
SCHEMBL7956303 0.79 MAPT (0.50) MAPK1ALDH1A1SMN1; SMN2RXRARXRB
SCHEMBL4872569 0.79 HSD17B10 (0.49) CYP1A2MAPK1CYP2C19POLBL3MBTL1
SCHEMBL672597 0.78 NOTUM (0.42) PIN1CYP1A2MAPK1CYP2C19CASP1
Hydrochloric Acid SCHEMBL10410284 0.78 GAA (0.42) PIN1CYP1A2MAPK1CYP2C19CASP1
SCHEMBL1436268 0.77 LOXL2 (0.40) PIN1CYP1A2MAPK1CYP2C19CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates ONO PHARMACEUTICAL CO., LTD. (JP) 2008-10-09 US disclosed
EP-1698335-A1 PREVENTIVE AND/OR THERAPEUTIC AGENT FOR DISEASE IN WHICH MITOCHONDRIAL BENZODIAZEPINE RECEPTOR PARTICIPATES ONO PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20080249154-A1 Preventive and/or Therapeutic Agent For Disease In Which Mitochondrial Benzodiazephine Receptor Participates MTNR1A, GSR, NLN ADORA3 534/4885ADORA2A 372/4885PIN1 3186/4885

“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.