SCHEMBL4775992

SCHEMBL4775992

NCC(=O)Cc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 4/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP2C19 P33261 1/20 0.48
MAPK8 P45983 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 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
Hydrochloric Acid SCHEMBL4775231 0.98 HPGD (0.51) HPGDALDH1A1POLBTAAR1CYP2C19
SCHEMBL7353467 0.87 HPGD (0.60) HPGDALDH1A1POLBCYP2C19MAPK8
SCHEMBL28879909 0.86 TAAR1 (0.53) HPGDALDH1A1POLBTAAR1CYP2C19
SCHEMBL3223780 0.82 HPGD (0.55) HPGDALDH1A1POLBCYP2C19MAPK8
SCHEMBL1264102 0.80 HPGD (0.53) HPGDALDH1A1POLBCYP2C19RAB9A
SCHEMBL5045391 0.80 HPGD (0.53) HPGDALDH1A1POLBCYP2C19RAB9A
Aminomethylamide SCHEMBL9327535 0.79 POLB (0.50) HPGDALDH1A1POLBTAAR1CYP2C19
SCHEMBL6602238 0.79 TAAR1 (0.54) HPGDALDH1A1POLBTAAR1CYP2C19
SCHEMBL114600 0.79
SCHEMBL7537697 0.78 HPGD (0.56) HPGDALDH1A1POLBCYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
EP-1636217-B1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2008-09-03 EP disclosed
US-7122545-B2 Imidazo-benzothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-10-17 US disclosed
EP-1636217-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-22 EP disclosed
US-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-08 US disclosed
WO-2004101558-A1 2-IMIDAZO-BENZOTHIAZOLES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-25 WO disclosed
US-20040229862-A1 Imidazo-benzothiazoles F. HOFFMAN-LA ROCHE AG (CH) 2004-11-18 US 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 (2 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-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines HNMT, PNMT, HRH4 HPGD 997/4885ALDH1A1 4097/4885POLB 833/4885
US-20040229862-A1 Imidazo-benzothiazoles ADORA1, ADORA3, ADORA2A HPGD 3325/4885ALDH1A1 411/4885POLB 4554/4885

“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.