SCHEMBL3866558

SCHEMBL3866558

COC(=O)c1cc(NC(=O)CCc2ccc(NCCCCCc3ccccc3)cc2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 4/20 0.50
KDM4E B2RXH2 4/20 0.49
CASR P41180 1/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 6/20 0.48
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL3857741 0.90 GAA (0.50) MEN1KMT2ALMNAALDH1A1RAB9A
Hydrochloric Acid SCHEMBL4659186 0.89 MCL1 (0.49) MEN1KMT2ALMNAALDH1A1RAB9A
SCHEMBL4658408 0.87 MEN1 (0.51) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL5442668 0.86 LMNA (0.49) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL13979547 0.85 RAB9A (0.48) MEN1KMT2AHPGDALDH1A1RAB9A
SCHEMBL4658134 0.83 NPC1 (0.56) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL4657303 0.81 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL4658368 0.79 MEN1 (0.46) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL4657708 0.78 RAB9A (0.52) MEN1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL4659396 0.78 FFAR1 (0.54) HPGDALDH1A1RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US claimed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US claimed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
EP-1391199-B1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2008-12-10 EP disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-04-19 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-7179817-B2 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-11 US disclosed
EP-1391199-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-02-25 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 (3 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-20070088027-A1 Carboxylic acid derivatives and pharmaceutical compositions comprising the same as an active ingredient EDF1, FFAR1, EDNRA MEN1 1748/4885KMT2A 4772/4885LMNA 2826/4885
US-20040224941-A1 Carboxylic acid derivatives and drugs containing the same as the active ingredient EDF1, FFAR1, VCAM1 MEN1 1352/4885KMT2A 4829/4885LMNA 3030/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MEN1 807/4885KMT2A 678/4885LMNA 3501/4885

“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.