SCHEMBL1875633

SCHEMBL1875633

COC(=O)c1cc(NC(=O)CBr)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL21607927 0.82 SMN1; SMN2 (0.40) MMP2MMP13MMP14SMN1; SMN2MAPT
SCHEMBL1875086 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL1871831 0.78 L3MBTL1 (0.56) SMN1; SMN2POLBMAPK1NPC1RAB9A
SCHEMBL2249666 0.78 MMP2 (0.39) MMP2MMP13MMP14MAPTPOLB
SCHEMBL8107227 0.77 MEN1 (0.41) SMN1; SMN2MAPTPOLBKMT2ATDP1
SCHEMBL11200266 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL27660533 0.76 CACNA1H (0.48)
SCHEMBL12248195 0.76 MAPK1 (0.37) MMP2MMP13MMP14SMN1; SMN2KMT2A
SCHEMBL25407400 0.76 MAPK14 (0.46) MMP2MMP13MMP14SMN1; SMN2MAPT
SCHEMBL12489030 0.76 SMN1; SMN2 (0.39) MMP2MMP13MMP14SMN1; SMN2MAPT

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-2059503-B1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RES INST CHEM TECH (KR) 2015-08-26 EP disclosed
US-7939550-B2 Aminopyrazole derivatives, process for the preparation thereof, and composition for preventing or treating ischemic diseases containing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-05-10 US disclosed
US-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-11 US disclosed
EP-2059503-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-05-20 EP disclosed
WO-2008051047-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-02 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 (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-20100063106-A1 AMINOPYRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND COMPOSITION FOR PREVENTING OR TREATING ISCHEMIC DISEASES CONTAINING THE SAME CASP3, ABAT, AIFM1 MMP2 4036/4885MMP13 2892/4885MMP14 3609/4885

“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.