SCHEMBL4880697

SCHEMBL4880697

CC(C)(C)n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CSC2

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.61
USP2 O75604 2/20 0.61
ALDH1A1 P00352 2/20 0.59
ENPP2 Q13822 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.46
P2RX1 P51575 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNK3 O14649 2/20 0.44
KCNK9 Q9NPC2 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 0.85 ALDH1A1 (0.67) HTTUSP2ALDH1A1ENPP2SMN1; SMN2
SCHEMBL4879217 0.82 ENPP2 (0.66) USP2ALDH1A1ENPP2MEN1KMT2A
SCHEMBL4878449 0.82 CYP3A4 (0.64) HTTUSP2ALDH1A1ENPP2LMNA
SCHEMBL4883325 0.81 HTT (0.66) HTTUSP2ALDH1A1ENPP2SMN1; SMN2
SCHEMBL12316844 0.81 ENPP2 (0.66) ENPP2KMT2A
SCHEMBL4878792 0.79 ALDH1A1 (0.66) HTTUSP2ALDH1A1ENPP2SMN1; SMN2
SCHEMBL4878644 0.75 ENPP2 (0.66) HTTUSP2ALDH1A1ENPP2SMN1; SMN2
SCHEMBL28398076 0.68 NPC1 (0.55) HTTLMNAP2RX1GAAMEN1
SCHEMBL28398869 0.68 LMNA (0.55) HTTLMNAP2RX1GAAMEN1
SCHEMBL29563681 0.67 HTT (0.74) HTTUSP2ALDH1A1ENPP2MEN1

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 1199/4885USP2 4686/4885ALDH1A1 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.