SCHEMBL6068080

SCHEMBL6068080

CC(C)(C)NC(=S)Nc1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
IDO1 P14902 1/20 0.62
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
CYP2C19 P33261 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ABCC9 O60706 4/20 0.49
KCNJ11 Q14654 4/20 0.49
DHODH Q02127 2/20 0.44
PKM P14618 2/20 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
SCHEMBL6068382 0.84 IDO1 (0.55) HTTIDO1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5449567 0.83 IDO1 (0.78) HTTIDO1MAPTALDH1A1GAA
SCHEMBL28438914 0.83 IDO1 (0.62) HTTIDO1MAPTALDH1A1MEN1
SCHEMBL11729153 0.82 IDO1 (0.53) HTTIDO1MAPTSMN1; SMN2ALDH1A1
SCHEMBL11729157 0.82 IDO1 (0.53) HTTIDO1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10514730 0.80 IDO1 (0.68) HTTIDO1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14586313 0.79 MEN1 (0.62) HTTIDO1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6068221 0.79 IDO1 (0.57) IDO1MAPTALDH1A1ABCC9KCNJ11
SCHEMBL8956175 0.79 IDO1 (0.66) HTTIDO1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6068057 0.78 IDO1 (0.55) HTTIDO1MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0392802-A2 Preparation of urea analogues and their use in bronchial, cerebrovascular and neuronal disorders Beecham Group p.l.c. (GB) 1990-10-17 EP claimed
US-7115620-B2 1,3-disubstituted-2-thioxo-imidazolidine-4,5-diones as potassium channel openers WYETH (US) 2006-10-03 US disclosed
US-20030119890-A1 1,3-Disubstituted-2-thioxo-imidazolidine-4,5-diones as potassium channel openers WYETH (US) 2003-06-26 US disclosed
EP-0392802-A2 Preparation of urea analogues and their use in bronchial, cerebrovascular and neuronal disorders Beecham Group p.l.c. (GB) 1990-10-17 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-20030119890-A1 1,3-Disubstituted-2-thioxo-imidazolidine-4,5-diones as potassium channel openers KCNJ2, KCNJ1, KCNN1 HTT 1315/4885IDO1 1748/4885MAPT 3916/4885

“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.