SCHEMBL4881700

SCHEMBL4881700

Cc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CSC3)c(C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
ENPP2 Q13822 4/20 0.66
TSHR P16473 3/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PDE2A O00408 2/20 0.62
PDE6D O43924 2/20 0.62
PDE8A O60658 2/20 0.62
PDE5A O76074 2/20 0.62
PDE9A O76083 2/20 0.62
PDE8B O95263 2/20 0.62
PDE6A P16499 2/20 0.62
PDE6G P18545 2/20 0.62
PDE4A P27815 2/20 0.62

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
SCHEMBL29392391 1.00 HTT (0.67) HTTENPP2TSHRCYP1A2CYP3A4
SCHEMBL29835096 0.89 HTT (0.74) HTTTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL29392969 0.84 HTT (0.75) HTTTSHRCYP1A2CYP3A4CYP2D6
SCHEMBL31157807 0.84 ALDH1A1 (0.71) HTTENPP2TSHRCYP1A2CYP3A4
SCHEMBL29563681 0.84 HTT (0.74) HTTENPP2TSHRCYP1A2CYP3A4
SCHEMBL29739754 0.82 HTT (0.78) HTTENPP2TSHRCYP1A2CYP3A4
SCHEMBL29739849 0.81 HTT (0.77) HTTENPP2TSHRCYP1A2CYP3A4
SCHEMBL29657133 0.80 ALDH1A1 (0.69) HTTENPP2TSHRCYP1A2CYP3A4
SCHEMBL30556476 0.80 HSD17B10 (0.69) HTTENPP2TSHRCYP1A2CYP3A4
SCHEMBL30101734 0.80 HSD17B10 (0.69) HTTENPP2TSHRCYP1A2CYP3A4

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 HTT 1199/4885ENPP2 2226/4885TSHR 214/4885

“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.