SCHEMBL4313381

SCHEMBL4313381

c1ccc(Cn2cnc3ccccc32)nc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.62
CYP11B2 P19099 8/20 0.62
TNF P01375 2/20 0.62
TDP1 Q9NUW8 1/20 0.59
HTT P42858 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
LMNA P02545 3/20 0.55
PKM P14618 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
BRD4 O60885 1/20 0.52
ALDH1A1 P00352 1/20 0.51
PRKCI P41743 1/20 0.51

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
SCHEMBL2082545 0.83 TDP1 (0.66) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL15552137 0.82 CYP11B1 (0.57) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL2542851 0.79 PRKCI (0.52) CYP11B1CYP11B2TNFHTTSMN1; SMN2
SCHEMBL13907295 0.78 CYP11B1 (0.89) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL30826274 0.78 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL4142913 0.78 CYP11B1 (0.77) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL30497324 0.77 FGFR1 (0.54) MEN1KMT2APRKCI
SCHEMBL230002 0.77 CYP11B1 (1.00) CYP11B1CYP11B2TNFTDP1HTT
SCHEMBL31357411 0.77 CYP11B1 (1.00) CYP11B1CYP11B2TNFTDP1HTT
Bromide SCHEMBL31253900 0.77 CYP11B1 (0.75) CYP11B1CYP11B2TNFTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102442952-A Cyclic N-heterocyclic carbene metal complex, and preparation method and application thereof UNIV TIANJIN NORMAL 2012-05-09 CN claimed
CN-102321104-A Alkyl-bridged N-heterocyclic dicarbene metal complex as well as preparation method and application thereof UNIV TIANJIN NORMAL 2012-01-18 CN claimed
CN-108947963-B Benzimidazole hexafluorophosphate compound and preparation method and application thereof 天津师范大学 2020-11-10 CN disclosed
CN-104860966-B Tetradentate nitrogen-heterocyclic Carbene silver complex and preparation method and application thereof 天津师范大学 2017-01-11 CN disclosed
CN-102321104-A Alkyl-bridged N-heterocyclic dicarbene metal complex as well as preparation method and application thereof UNIV TIANJIN NORMAL 2012-01-18 CN disclosed
US-7528251-B2 Method for enantioselective preparation of sulphoxide derivatives SIDEM PHARMA SA (LU) 2009-05-05 US disclosed
EP-1802620-B1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S A (LU) 2008-12-17 EP disclosed
US-20070299261-A1 Method For Enantioselective Preparation Of Sulphoxide Derivatives SIDEM PHARMA SA (LU) 2007-12-27 US disclosed
EP-1802620-A1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES Sidem Pharma (LU) 2007-07-04 EP disclosed
EP-1740571-A1 A PROCESS FOR PREPARING PYRIDINYLMETHYL-1H- BENZIMIDAZOLE COMPOUNDS IN ENANTIOMERICALLY ENRICHED FORM OR AS SINGLE ENANTIOMERS Hetero Drugs Limited (IN) 2007-01-10 EP disclosed
WO-2006037894-A1 METHOD FOR ENANTIOSELECTIVE PREPARATION OF SULPHOXIDE DERIVATIVES SIDEM PHARMA S.A. (LU) 2006-04-13 WO disclosed
WO-2005105786-A1 A PROCESS FOR PREPARING PYRIDINYLMETHYL-1H- BENZIMIDAZOLE COMPOUNDS IN ENANTIOMERICALLY ENRICHED FORM OR AS SINGLE ENANTIOMERS HETERO DRUGS LIMITED (IN) 2005-11-10 WO 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-20070299261-A1 Method For Enantioselective Preparation Of Sulphoxide Derivatives TST, ADH1A, ADH1C CYP11B1 75/4885CYP11B2 94/4885TNF 1761/4885

“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.