SCHEMBL6675658

SCHEMBL6675658

Cn1cc(NC(=O)c2ccccc2-c2ccc(F)cc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.54
TP53 P04637 1/20 0.51
MAPT P10636 2/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
GAA P10253 3/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP3A4 P08684 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL7039846 0.92 CHRNB2 (0.60) HTTTP53MAPTCHRNB2CHRNB4
SCHEMBL6673884 0.89 L3MBTL1 (0.55) HTTTP53CHRNB2CHRNB4CHRNA3
SCHEMBL6278519 0.88 MTTP (0.55) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6675660 0.83 HTT (0.51) HTTTP53MAPTCHRNB2CHRNB4
SCHEMBL7041084 0.81 LMNA (0.46) TP53MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL6255815 0.77 MTTP (0.53) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL29970845 0.77 CHRNB2 (0.78) HTTTP53MAPTCHRNB2CHRNB4
SCHEMBL29201497 0.77 CHRNB2 (0.78) HTTTP53MAPTCHRNB2CHRNB4
SCHEMBL7042911 0.76 MTTP (0.50) MAPTGAAKDM4ELMNAALDH1A1
SCHEMBL7043296 0.75 MTTP (0.57) CHRNB2CHRNB4CHRNA3CHRNA4GAA

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 HTT 1297/4885TP53 3704/4885MAPT 1984/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 HTT 1259/4885TP53 4699/4885MAPT 3763/4885

“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.