SCHEMBL6673492

SCHEMBL6673492

Cn1cc(NC(=O)c2ccccc2N2CCOCC2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 7/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 4/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
BRPF1 P55201 1/20 0.47
RAF1 P04049 2/20 0.46
BRAF P15056 2/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 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
SCHEMBL6679276 0.90 GAA (0.56) RAB9AALDH1A1HPGDNPC1KDM4E
SCHEMBL7038354 0.89 MEN1 (0.51) RAB9AALDH1A1HPGDNPC1KDM4E
SCHEMBL6679979 0.86 RAB9A (0.54) RAB9AALDH1A1HPGDNPC1KDM4E
SCHEMBL6673493 0.84 RAB9A (0.49) RAB9AALDH1A1HPGDNPC1KDM4E
SCHEMBL6678715 0.82 RAB9A (0.49) RAB9AALDH1A1HPGDNPC1KDM4E
SCHEMBL7036532 0.80 POLB (0.54) RAB9AALDH1A1KDM4EHTTPKM
SCHEMBL7039846 0.75 CHRNB2 (0.60) RAB9AALDH1A1KDM4EHTTGAA
SCHEMBL10153998 0.74 ALDH1A1 (0.51) RAB9AALDH1A1HPGDNPC1PKM
SCHEMBL226006 0.73 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EPKMGAA
SCHEMBL29816440 0.73 ALDH1A1 (0.57) ALDH1A1HPGDKDM4EPKMGAA

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
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN RAB9A 4424/4885ALDH1A1 2713/4885HPGD 2092/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 RAB9A 3035/4885ALDH1A1 756/4885HPGD 900/4885

“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.