SCHEMBL7925519

SCHEMBL7925519

Cc1n[nH]c(-c2ccco2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.50
ALPL P05186 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
PDE10A Q9Y233 1/20 0.50
CYP1A2 P05177 1/20 0.50
GAA P10253 2/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
APOBEC3G Q9HC16 1/20 0.47
PDPK1 O15530 1/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
THRB P10828 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 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
SCHEMBL1770275 0.78 HPGD (0.50) HPGDALPLLMNARAB9APDE10A
SCHEMBL8731561 0.78 PDPK1 (0.54) HPGDALPLLMNARAB9ACYP1A2
SCHEMBL12311990 0.77 HPGD (0.54) HPGDALPLLMNARAB9APDE10A
SCHEMBL12265084 0.77 HPGD (0.47) HPGDALPLLMNARAB9APDE10A
SCHEMBL17279716 0.74 NR1H2 (0.62) HPGDALPLLMNARAB9ACYP1A2
SCHEMBL17280118 0.73 HPGD (0.49) HPGDALPLLMNARAB9ACYP1A2
SCHEMBL27571730 0.71 ALPL (0.48) HPGDALPLLMNARAB9ACYP1A2
SCHEMBL2753054 0.71 RAB9A (0.55) HPGDALPLLMNARAB9ACYP1A2
SCHEMBL10713001 0.70 LMNA (0.49) HPGDALPLLMNARAB9ACYP1A2
SCHEMBL15374804 0.70 DCUN1D1 (0.32) HPGD

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
US-9708273-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-01-29 US disclosed
US-8883810-B2 Aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8557832-B2 Aryl methyl benzoquinazolinine M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
EP-2358686-B1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2012-09-26 EP disclosed
WO-2010059773-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-05-27 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 (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-20150031713-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 HPGD 2753/4885ALPL 2933/4885LMNA 3794/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 HPGD 2753/4885ALPL 2933/4885LMNA 3794/4885

“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.