SCHEMBL4878792

SCHEMBL4878792

CC(C)(C)n1nc2c(c1NC(=O)c1ccc(-c3ccccc3)cc1)CSC2

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
USP2 O75604 2/20 0.63
HTT P42858 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ENPP2 Q13822 2/20 0.48
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
CYP2C19 P33261 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
SCHEMBL4878334 0.93 ALDH1A1 (0.67) ALDH1A1USP2HTTSMN1; SMN2KMT2A
SCHEMBL4880697 0.79 HTT (0.61) ALDH1A1USP2HTTSMN1; SMN2KMT2A
SCHEMBL4878644 0.78 ENPP2 (0.66) ALDH1A1USP2HTTSMN1; SMN2ENPP2
SCHEMBL4881075 0.77 HSD17B10 (0.65) ALDH1A1USP2KMT2ACYP3A4CYP2D6
SCHEMBL31157807 0.64 ALDH1A1 (0.71) ALDH1A1HTTKMT2ACYP3A4CYP2D6
SCHEMBL30957223 0.63 HTT (0.72) ALDH1A1HTTKMT2ACYP3A4CYP2D6
SCHEMBL12044572 0.62 PTPN1 (0.70) SMN1; SMN2NPC1
SCHEMBL11832814 0.61 PTPN1 (0.63) ALDH1A1SMN1; SMN2KMT2ALMNANPC1
SCHEMBL6416083 0.61 NPC1 (0.60) HTTSMN1; SMN2KMT2ALMNACYP2C9
SCHEMBL14281213 0.61 MEN1 (0.60) SMN1; SMN2KMT2ALMNANPC1

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 ALDH1A1 1371/4885USP2 4686/4885HTT 1199/4885

“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.