SCHEMBL17335644

SCHEMBL17335644

CCCCCCC(C)C(=O)NCc1cccc(-c2nnn[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LNPEP Q9UIQ6 1/20 0.39
EPHX2 P34913 3/20 0.38
SPHK1 Q9NYA1 1/20 0.38
TLR2 O60603 1/20 0.37
CARM1 Q86X55 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SMO Q99835 1/20 0.35
TARS1 P26639 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
SCHEMBL17335684 0.96 LMNA (0.43) LMNAMAPTMAPK1HPGDERAP2
SCHEMBL17335646 0.83 EPHX2 (0.56) HPGDEPHX2ALDH1A1CYP3A4TRPV1
SCHEMBL17335723 0.82 EPHX2 (0.54) EPHX2TRPV1
SCHEMBL17335671 0.78 AOC3 (0.45) MAPTALDH1A1CYP3A4
SCHEMBL15881682 0.76 MMP13 (0.42) ERAP2ERAP1LNPEP
SCHEMBL6957496 0.75 LPL (0.44) SPHK1
SCHEMBL12352667 0.74 LMNA (0.58) LMNAMAPTMAPK1EPHX2TLR2
SCHEMBL22294656 0.74 LMNA (0.58) LMNAMAPTMAPK1EPHX2TLR2
SCHEMBL6952046 0.73 HSD11B1 (0.39) SPHK1
SCHEMBL4227732 0.72 ERAP2 (0.40) LMNAMAPTMAPK1HPGDERAP2

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-9884814-B2 Acylguanidines for treating osteoarthritis MERCK PATENT GMBH (DE) 2018-02-06 US claimed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 US claimed

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-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS CTSG, CTSD, CTSB LMNA 3320/4885MAPT 3376/4885MAPK1 1138/4885

“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.