SCHEMBL3601956

SCHEMBL3601956

[NH]c1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAOA P21397 4/20 0.53
▸ MAOB P27338 4/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ HPGD P15428 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL3599640 0.87 MAOB (0.64) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL19630003 0.82 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL7454625 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL395053 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL434490 0.79 EPHX2 (0.77) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL10509516 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL15875502 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL1332876 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL30199790 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL20677671 0.76 HTT (0.56) HTTALDH1A1LMNAMAOAMAOB

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 — — US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 — — 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 HTT 3170/4885ALDH1A1 1904/4885LMNA 251/4885

“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.

Send feedback