SCHEMBL3770874

SCHEMBL3770874

COc1cccc(-c2csc(N3CCN(C(=O)Nc4cccnc4)CC3)n2)c1

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.83
MAPK1 P28482 6/20 0.83
ALDH1A1 P00352 11/20 0.79
LMNA P02545 9/20 0.79
HTT P42858 6/20 0.79
SMN1; SMN2 Q16637 5/20 0.79
TP53 P04637 3/20 0.79
GAA P10253 2/20 0.79
KMT2A Q03164 9/20 0.75
MEN1 O00255 8/20 0.75
NPSR1 Q6W5P4 1/20 0.75
HSD17B10 Q99714 2/20 0.70
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
TSHR P16473 1/20 0.63
ALOX12 P18054 1/20 0.61

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
SCHEMBL3765698 0.88 MAPT (0.64) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3771970 0.86 MAPT (0.63) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3761029 0.86 FAAH (0.63) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3761168 0.86 FAAH (0.68) MAPTMAPK1ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL3772523 0.85 FAAH (0.67) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3766404 0.84 MAPT (0.59) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3766412 0.84 MAPT (0.59) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3778524 0.82 SMN1; SMN2 (0.61) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3773324 0.81 MAPT (0.74) MAPTMAPK1ALDH1A1LMNAHTT
SCHEMBL3763272 0.79 MAPT (0.72) MAPTMAPK1ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 MAPT 3805/4885MAPK1 2636/4885ALDH1A1 353/4885

“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.