SCHEMBL5776233

SCHEMBL5776233

Cn1c(=O)n(C/C=C\CCl)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 5/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AGER Q15109 1/20 0.46
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
XBP1 P17861 1/20 0.43

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
SCHEMBL5775371 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2ATSHR
SCHEMBL5775377 1.00 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1KMT2ATSHR
SCHEMBL5774193 0.84 PGR (0.43) ALDH1A1TSHR
SCHEMBL5774187 0.84 PGR (0.43) ALDH1A1TSHR
SCHEMBL5777217 0.84 PGR (0.43) ALDH1A1TSHR
SCHEMBL13563364 0.84 ALDH1A1 (0.42) CYP1A2ALDH1A1MEN1KMT2ANPC1
SCHEMBL7059480 0.81 TSHR (0.40) ALDH1A1TSHRNPC1LMNASMN1; SMN2
SCHEMBL7060173 0.81 TSHR (0.40) ALDH1A1TSHRNPC1LMNASMN1; SMN2
SCHEMBL7059484 0.81 TSHR (0.40) ALDH1A1TSHRNPC1LMNASMN1; SMN2
SCHEMBL13563352 0.81 BRD4 (0.44) ALDH1A1MEN1KMT2ATSHRNPC1

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 CYP1A2 517/4885ALDH1A1 385/4885MEN1 3095/4885

“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.