SCHEMBL4882017

SCHEMBL4882017

O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.60
TSHR P16473 7/20 0.59
ALDH1A1 P00352 6/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRA2 P47869 1/20 0.46
NTRK1 P04629 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
MAPK1 P28482 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL4880715 0.89 TSHR (0.56) ENPP2TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL4880680 0.88 TSHR (0.57) ENPP2TSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL14024422 0.85 ENPP2 (0.58) ENPP2TSHRALDH1A1USP2SMN1; SMN2
SCHEMBL4874779 0.85 ENPP2 (0.81) ENPP2TSHRMAPTMEN1KMT2A
SCHEMBL4878903 0.85 ENPP2 (0.58) ENPP2TSHRALDH1A1USP2SMN1; SMN2
Hydrochloric Acid SCHEMBL4880131 0.85 ENPP2 (0.57) ENPP2TSHRALDH1A1USP2SMN1; SMN2
SCHEMBL4879186 0.79 ENPP2 (0.51) ENPP2TSHRALDH1A1USP2SMN1; SMN2
SCHEMBL4883506 0.75 ENPP2 (0.81) ENPP2TSHRALDH1A1MAPTCYP3A4
SCHEMBL4882847 0.74 ENPP2 (0.66) ENPP2TSHRMAPTKMT2A
SCHEMBL29774936 0.72 TSHR (0.82) TSHRALDH1A1USP2MAPTCYP3A4

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 claimed
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 claimed
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 ENPP2 2226/4885TSHR 214/4885ALDH1A1 1371/4885

“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.