SCHEMBL7039846

SCHEMBL7039846

Cn1cc(NC(=O)c2ccccc2-c2ccccc2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.60
CHRNB4 P30926 2/20 0.60
CHRNA3 P32297 2/20 0.60
CHRNA4 P43681 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.53
HTT P42858 4/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
OPRL1 P41146 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6673884 0.93 L3MBTL1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL6675658 0.92 HTT (0.54) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL6278519 0.89 MTTP (0.55) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL6673895 0.81 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL7039230 0.80 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL6679276 0.78 GAA (0.56) L3MBTL1ALDH1A1HTTGAAPOLB
SCHEMBL6255815 0.77 MTTP (0.53) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL7042911 0.77 MTTP (0.50) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL7039859 0.77 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL1017796 0.76 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 CHRNB2 4509/4885CHRNB4 4364/4885CHRNA3 4316/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 CHRNB2 4806/4885CHRNB4 4697/4885CHRNA3 4476/4885

“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.