SCHEMBL5779204

SCHEMBL5779204

O=c1[nH]c2ccccc2n1C/C=C/CCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
CYP1A2 P05177 1/20 0.57
KMT2A Q03164 1/20 0.57
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.47
DAO P14920 1/20 0.45
HTR7 P34969 5/20 0.44
IDO1 P14902 1/20 0.44
RAB9A P51151 1/20 0.44
APOBEC3G Q9HC16 1/20 0.43
KDM4E B2RXH2 1/20 0.42
P2RX7 Q99572 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
SCHEMBL5777717 1.00 MEN1 (0.57) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL5777721 1.00 MEN1 (0.57) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL10902799 0.86 MEN1 (0.58) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL11768010 0.83 MEN1 (0.58) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL14198908 0.80 CYP1A2 (0.64) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL11551 0.79 MEN1 (0.62) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL11122536 0.78 LMNA (0.58) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL961132 0.77 LMNA (0.64) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL16371336 0.75 CYP1A2 (0.61) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL30930111 0.75 CYP1A2 (0.61) MEN1CYP1A2KMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322621-B1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA (DE) 2006-10-04 EP disclosed
EP-1322621-A1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-07-02 EP disclosed
US-6586435-B2 Useful in treatment of anxiety disorders, affective disorders such as depression, psychosis and schizophrenia, Parkinson's disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-01 US disclosed
US-20020103208-A1 Benzimidazolone derivatives displaying affinity at the serotonin and dopamine receptors BAUSCH HEALTH POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (F/K/A VALEANT PHARMA POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA) (PL) 2002-08-01 US disclosed
WO-2002024662-A1 NEW BENZIMIDAZOLONE DERIVATIVES DISPLAYING AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS BOEHRINGER INGELHEIM PHARMA GMBH & KO. KG (DE) 2002-03-28 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-20020103208-A1 Benzimidazolone derivatives displaying affinity at the serotonin and dopamine receptors OPRM1, HTR2C, HTR1D MEN1 3095/4885CYP1A2 517/4885KMT2A 3473/4885

“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.