SCHEMBL4877396

SCHEMBL4877396

Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
USP2 O75604 1/20 0.62
POLB P06746 1/20 0.62
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
ENPP2 Q13822 5/20 0.54
PDE2A O00408 1/20 0.50
PDE6D O43924 1/20 0.50
PDE8A O60658 1/20 0.50
PDE5A O76074 1/20 0.50
PDE9A O76083 1/20 0.50
PDE8B O95263 1/20 0.50
PDE6A P16499 1/20 0.50
PDE6G P18545 1/20 0.50

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
SCHEMBL4881992 0.90 TSHR (0.69) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL4882902 0.84 MAPT (0.64) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL4881075 0.80 HSD17B10 (0.65) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL30551701 0.80 HSD17B10 (0.67) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL4882943 0.79 ALDH1A1 (0.53) HSD17B10USP2MEN1ALDH1A1CYP1A2
SCHEMBL4882118 0.79 ENPP2 (0.57) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL4879266 0.79 ENPP2 (0.73) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL4879217 0.75 ENPP2 (0.66) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL29835096 0.74 HTT (0.74) HSD17B10USP2POLBMEN1ALDH1A1
SCHEMBL29739746 0.73 ENPP2 (0.68) HSD17B10USP2POLBMEN1ALDH1A1

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 HSD17B10 796/4885USP2 4686/4885POLB 890/4885

“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.