SCHEMBL6340535

SCHEMBL6340535

Cc1cc(C(=O)NC(Cc2ccccc2)c2cc(C#N)ccc2OCc2ccccc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.44
ACACB O00763 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
MET P08581 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 1/20 0.40
YAP1 P46937 2/20 0.39
GPR132 Q9UNW8 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PTGER1 P34995 1/20 0.39
GPR34 Q9UPC5 1/20 0.38
PREP P48147 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6554476 0.91 SLC6A9 (0.45) SLC6A9ACACBMRGPRX4METNPC1
Hydrochloric Acid SCHEMBL6342450 0.86 NPC1 (0.41) ACACBNPC1RAB9AHSD17B10HPGD
SCHEMBL6554549 0.84 SLC6A9 (0.46) SLC6A9MRGPRX4METNPC1RAB9A
Hydrochloric Acid SCHEMBL6554810 0.83 SLC6A9 (0.45) SLC6A9MRGPRX4METNPC1RAB9A
SCHEMBL7116842 0.80 MET (0.45) SLC6A9ACACBMRGPRX4METNPC1
Hydrochloric Acid SCHEMBL6341161 0.80 ACE (0.40) METNPC1RAB9AGPR132PTGER1
SCHEMBL6555829 0.77 ACACB (0.42) ACACB
SCHEMBL5099764 0.77 MET (0.46) SLC6A9MRGPRX4METNPC1RAB9A
SCHEMBL6331290 0.76 CDK1 (0.48) SLC6A9NPC1RAB9AHSD17B10PTGER1
SCHEMBL6324855 0.76 CDK8 (0.41) SLC6A9NPC1RAB9AHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 SLC6A9 4526/4885ACACB 558/4885MRGPRX4 2604/4885

“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.