SCHEMBL6330288

SCHEMBL6330288

N#Cc1ccc(OCc2ccccc2)c(C(N)Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
MRGPRX4 Q96LA9 4/20 0.44
SGMS2 Q8NHU3 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
PTGER1 P34995 1/20 0.41
LTA4H P09960 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR34 Q9UPC5 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL6555786 0.85 MAOB (0.51) MAOBMRGPRX4SGMS2ALDH1A1LMNA
SCHEMBL6490916 0.82 MRGPRX4 (0.50) MAOBMRGPRX4SGMS2ALDH1A1LMNA
SCHEMBL6323971 0.81 MRGPRX4 (0.49) MAOBMRGPRX4SGMS2PTGER1GPR34
Hydrochloric Acid SCHEMBL6834965 0.80 MRGPRX4 (0.48) MAOBMRGPRX4SGMS2PTGER1GPR34
SCHEMBL6834962 0.79 MRGPRX4 (0.50) MAOBMRGPRX4PTGER1GPR34
SCHEMBL7129137 0.77 MAOB (0.58) MAOBMRGPRX4ALDH1A1PTGER1LTA4H
SCHEMBL6330912 0.77 MRGPRX4 (0.48) MAOBMRGPRX4SGMS2ALDH1A1PTGER1
SCHEMBL7114833 0.77 MRGPRX4 (0.53) MAOBMRGPRX4PTGER1GPR34
Hydrochloric Acid SCHEMBL7526696 0.76 MRGPRX4 (0.52) MAOBMRGPRX4PTGER1GPR34
SCHEMBL1330628 0.76 MAOB (0.62) MAOBMRGPRX4

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 US disclosed
US-6838565-B2 Substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-04 US disclosed
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM (DE) 2004-07-15 US disclosed
WO-2004013128-A1 NOVEL SUBSTITUTED BENZAMIDES PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM (DE) 2004-02-12 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-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 MAOB 445/4885MRGPRX4 2604/4885SGMS2 4421/4885
US-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 MAOB 78/4885MRGPRX4 822/4885SGMS2 4112/4885

“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.