SCHEMBL17335671

SCHEMBL17335671

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.45
P2RX7 Q99572 1/20 0.39
BRD4 O60885 1/20 0.39
MAPT P10636 1/20 0.38
SRC P12931 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
VSIR Q9H7M9 1/20 0.38
HDAC1 Q13547 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL17335723 0.87 EPHX2 (0.54)
SCHEMBL17335646 0.86 EPHX2 (0.56) ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL17335692 0.84 POLB (0.44) MAPTALDH1A1HDAC1ADORA3ADORA2A
SCHEMBL17335684 0.80 LMNA (0.43) MAPTALDH1A1CYP3A4
SCHEMBL12017494 0.80 PRMT6 (0.53) MAPTCYP3A4
SCHEMBL950001 0.80 CYP3A4 (0.60) MAPTALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL17335617 0.79 MEN1 (0.47) ALDH1A1
SCHEMBL17335644 0.78 LMNA (0.41) MAPTALDH1A1CYP3A4
SCHEMBL12481586 0.78 PRMT6 (0.36) AOC3VSIR
SCHEMBL17335669 0.78 P2RX7 (0.38) P2RX7

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 disclosed
US-20150361037-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-12-17 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 (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 AOC3 570/4885P2RX7 2085/4885BRD4 3958/4885

“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.