SCHEMBL5094271

SCHEMBL5094271

CCCCCCOC(=O)NC(=N)c1ccc(OC)c(CC(=O)Nc2ccc(C(=O)N3CCCC3)c(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
S1PR3 Q99500 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL5093178 0.92 HSD11B1 (0.41) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL5094300 0.91 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDHSD11B1
SCHEMBL5094411 0.84 HSD11B1 (0.44) MEN1KMT2AHPGDHSD17B10HSD11B1
SCHEMBL5089056 0.83 HSD11B1 (0.43) MEN1KMT2AALDH1A1HPGDHSD11B1
Hydrochloric Acid SCHEMBL5098942 0.81 F10 (0.49) MEN1KMT2AHSD11B1L3MBTL1F10
SCHEMBL6554618 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL5091241 0.75 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HSD11B1GAA
SCHEMBL5094227 0.74 MET (0.41) MEN1KMT2AHPGDHSD17B10MAPT
SCHEMBL7113065 0.73 F10 (0.51) ALDH1A1HPGDMAPTF10
SCHEMBL7370559 0.73 MET (0.41) KMT2AALDH1A1HPGDHSD17B10MAPT

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
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US claimed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US claimed
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP 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-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 MEN1 888/4885KMT2A 3156/4885ALDH1A1 262/4885

“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.