SCHEMBL4878449

SCHEMBL4878449

Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CSC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 3/20 0.61
THRB P10828 1/20 0.61
HSD17B10 Q99714 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
POLB P06746 4/20 0.59
GAA P10253 2/20 0.56
ALDH1A1 P00352 6/20 0.56
TSHR P16473 4/20 0.56
KDM4E B2RXH2 4/20 0.56
FPR1 P21462 1/20 0.55
ENPP2 Q13822 3/20 0.55
NPSR1 Q6W5P4 3/20 0.54
USP2 O75604 2/20 0.54
RECQL P46063 2/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL4879217 0.86 ENPP2 (0.66) CYP3A4CYP2C9MAPTHSD17B10MEN1
SCHEMBL29813896 0.84 CYP3A4 (0.70) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL833831 0.82 CYP3A4 (0.73) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL12316844 0.82 ENPP2 (0.66) MAPTHSD17B10KMT2ATSHRKDM4E
SCHEMBL4882902 0.82 MAPT (0.64) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL4880697 0.82 HTT (0.61) MEN1KMT2AGAAALDH1A1ENPP2
SCHEMBL29563681 0.80 HTT (0.74) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL29583307 0.79 KMT2A (0.69) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL29392969 0.79 HTT (0.75) CYP3A4CYP2C9CYP2D6MAPTTHRB
SCHEMBL30101734 0.79 HSD17B10 (0.69) CYP3A4CYP2C9CYP2D6MAPTTHRB

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 1 patent. 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

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 CYP3A4 927/4885CYP2C9 834/4885CYP2D6 431/4885

“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.