SCHEMBL1417643

SCHEMBL1417643

CC/N=C(\SC)N1CCC(C(=O)OCC)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
ALDH1A1 P00352 6/20 0.55
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7985720 1.00 MAPT (0.56) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL1417644 1.00 MAPT (0.56) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16825958 0.82 ALDH1A1 (0.54) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL16825955 0.82 ALDH1A1 (0.54) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5885563 0.78 MAPT (0.70) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL314239 0.76 ALDH1A1 (0.57) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL314240 0.76 ALDH1A1 (0.57) MAPTALDH1A1POLBGAAKMT2A
SCHEMBL1720494 0.76 MAPT (0.72) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL900124 0.75 MAPT (0.70) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL22217096 0.74 MAPT (0.64) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 EP disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 MAPT 1571/4885ALDH1A1 359/4885CYP3A4 386/4885

“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.