SCHEMBL5655799

SCHEMBL5655799

CCn1c(CO)cnc1S

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.35
MAPK1 P28482 2/20 0.35
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
PDXK O00764 1/20 0.30

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
SCHEMBL5397038 0.84 POLB (0.37) POLBCYP2C19HTTMAPK1THRB
SCHEMBL5656943 0.79 POLB (0.36) POLBCYP2C19HTTMAPK1THRB
SCHEMBL3763823 0.77
SCHEMBL7248981 0.76 MAPT (0.35) POLBCYP2C19HTTMAPK1ALDH1A1
SCHEMBL5657557 0.75 POLB (0.33) POLBCYP2C19HTTMAPK1
SCHEMBL6952106 0.75 MAPK1 (0.44) POLBCYP2C19HTTMAPK1
SCHEMBL5654666 0.72 MLYCD (0.33) POLBALDH1A1
SCHEMBL1752323 0.71 GPR35 (0.40) POLBMAPK1ALDH1A1NPC1KMT2A
SCHEMBL25283654 0.70 CYP1A2 (0.35) POLBCYP2C19HTTMAPK1ALDH1A1
SCHEMBL25283653 0.70 CYP1A2 (0.35) POLBCYP2C19HTTMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP disclosed
US-6630593-B1 A process for preparing a 1-substituted 5-hydroxymethylimidazole of the formula: wherein R represents alkyl, hydroxyalkyl, allyl, or substituted or unsubstituted arylmethyl or diarylmethyl, comprising the step of reacting a LG CHEM INVESTMENT LTD. (KR) 2003-10-07 US disclosed
EP-1255737-A4 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG CHEM INVESTMENT LTD (KR) 2003-04-16 EP disclosed
EP-1255737-A1 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG Chem Investment, Ltd. (KR) 2002-11-13 EP disclosed
WO-2001017974-A1 PROCESS FOR PREPARING A 1-SUBSTITUTED 5-HYDROXYMETHYL IMIDAZOLE LG CHEM INVESTMENT LTD. (KR) 2001-03-15 WO disclosed
EP-0146228-B1 SUBSTITUTED 2-MERCAPTO-IMIDAZOLES AND THEIR PREPARATION AND USE Farmos-Yhtyma Oy (FI) 1988-01-20 EP disclosed
US-4584383-A Substituted 2-mercapto-imidazoles and their preparation FARMOS YHTYMA-OY (FI) 1986-04-22 US disclosed
EP-0146228-A1 Substituted 2-mercapto-imidazoles and their preparation and use Farmos-Yhtyma Oy (FI) 1985-06-26 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 POLB 3578/4885CYP2C19 70/4885HTT 3606/4885

“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.