SCHEMBL2804975

SCHEMBL2804975

C=C(C)n1c(=O)n(CCC(=O)OCC)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ATM Q13315 1/20 0.54
TNF P01375 1/20 0.49
GAA P10253 2/20 0.49
TACR1 P25103 2/20 0.48
OPRM1 P35372 2/20 0.48
CREBBP Q92793 1/20 0.48
CXCR3 P49682 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP2D6 P10635 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 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
SCHEMBL1405053 0.93 TNF (0.59) ALDH1A1MEN1KMT2AATMTNF
SCHEMBL2313704 0.87 MEN1 (0.53) ALDH1A1MEN1KMT2AATMGAA
SCHEMBL11514777 0.86 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ATNFGAA
SCHEMBL11094129 0.84 MEN1 (0.58) MEN1KMT2AATMGAATACR1
SCHEMBL2833834 0.81 MEN1 (0.52) ALDH1A1MEN1KMT2ATNFGAA
SCHEMBL9385716 0.80 MEN1 (0.49) ALDH1A1MEN1KMT2AATMTNF
SCHEMBL14021860 0.80 MEN1 (0.51) ALDH1A1MEN1KMT2AATMTNF
SCHEMBL13240513 0.79 MEN1 (0.50) ALDH1A1MEN1KMT2AATMTNF
SCHEMBL1404741 0.77 MEN1 (0.54) ALDH1A1MEN1KMT2AATMTACR1
SCHEMBL3724959 0.76 MEN1 (0.59) MEN1KMT2AATMGAATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
EP-2152674-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2010-02-17 EP disclosed
WO-2008147697-A1 BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 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-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 ALDH1A1 2332/4885MEN1 1035/4885KMT2A 4203/4885

“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.