SCHEMBL3765678

SCHEMBL3765678

O=C(Nc1nncs1)OCC(Cl)(Cl)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR2 Q92731 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1280046 0.75 RAB9A (0.55) ALDH1A1HPGDHSD17B10POLBSMN1; SMN2
SCHEMBL7278019 0.74 MAPT (0.39) SMN1; SMN2GAAKMT2ACYP1A2CYP3A4
SCHEMBL7278026 0.74 MAPT (0.50) ALDH1A1POLBSMN1; SMN2GAAKDM4E
SCHEMBL5838495 0.73 CA1 (0.49) ALDH1A1HPGDHSD17B10POLBSMN1; SMN2
SCHEMBL9074964 0.71 MAPT (0.42) HSD17B10SMN1; SMN2GAAKMT2AKDM4E
SCHEMBL3188023 0.71 ATAD2 (0.51) ALDH1A1HPGDHSD17B10POLBSMN1; SMN2
SCHEMBL3190628 0.71 MEN1 (0.56) ALDH1A1POLBSMN1; SMN2KMT2AKDM4E
SCHEMBL8125604 0.71 CSNK2A2 (0.56) ALDH1A1HPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL11036050 0.71 TSHR (0.49) ALDH1A1HSD17B10POLBSMN1; SMN2GAA
SCHEMBL11533383 0.71 MAPK1 (0.49) ALDH1A1POLBSMN1; SMN2GAAKMT2A

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 ALDH1A1 353/4885HPGD 429/4885HSD17B10 853/4885

“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.