SCHEMBL4880314

SCHEMBL4880314

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.47
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 3/20 0.44
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
CHRM1 P11229 2/20 0.44
HPGD P15428 2/20 0.44
NR4A2 P43354 2/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
DRD2 P14416 1/20 0.44
TSHR P16473 1/20 0.44
TBXA2R P21731 1/20 0.44
NR4A1 P22736 1/20 0.44

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
SCHEMBL7956303 0.88 MAPT (0.50) RXRARXRBRXRGNR4A2MAPK1
SCHEMBL4882878 0.87 NR4A2 (0.47) CYP1A2NR4A2MAPK1CYP2C19PARP1
SCHEMBL4878258 0.87 ADORA3 (0.38) FFAR1CYP1A2KDM4ERXRARXRB
Hydrochloric Acid SCHEMBL10410284 0.83 GAA (0.42) CYP1A2KDM4ENR4A2ABCC4LMNA
SCHEMBL27641126 0.83 ALPL (0.41) CYP1A2KDM4EMAPK1CYP2C19POLB
SCHEMBL30670275 0.82 MTOR (0.38) CYP1A2CYP2C9KDM4EHPGDMAPK1
SCHEMBL4878314 0.82 MAPT (0.53) LMNAMAPK1MAPTHTTADORA3
SCHEMBL4872569 0.81 HSD17B10 (0.49) HSD17B10CYP1A2CYP2C9KDM4EHPGD
SCHEMBL672597 0.80 NOTUM (0.42) CYP1A2CYP2C9KDM4EHPGDMAPK1
SCHEMBL1436268 0.79 LOXL2 (0.40) CYP1A2KDM4EHPGDLMNACYP3A4

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-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
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
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 FFAR1 111/4885HSD17B10 796/4885CYP1A2 688/4885

“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.