SCHEMBL2688641

SCHEMBL2688641

CN(C)CCNc1ccc(-c2nc3ccccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
RAD52 P43351 1/20 0.49
MAPT P10636 5/20 0.47
RAB9A P51151 2/20 0.46
TP53 P04637 2/20 0.46
HSPD1 P10809 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN5 P54829 1/20 0.46
HSPE1 P61604 1/20 0.46
NPC1 O15118 1/20 0.46
THRB P10828 1/20 0.46
VSIR Q9H7M9 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
SCHEMBL12997114 0.88 MMP2 (0.52) KMT2AMEN1MMP2MMP9MMP8
SCHEMBL2687950 0.87 TP53 (0.59) KMT2AMEN1MMP2MMP9MMP8
SCHEMBL2687689 0.86 MAPT (0.58) KMT2AMEN1MMP2MMP9MMP8
SCHEMBL2688025 0.86 MMP2 (0.50) KMT2AMEN1MMP2MMP9MMP8
SCHEMBL12997350 0.84 KAT2B (0.53) KMT2AMEN1MMP2MMP9MMP8
SCHEMBL2689004 0.83 MMP2 (0.52) KMT2AMEN1MMP2MMP9MMP8
SCHEMBL2688307 0.82 POLB (0.61) KMT2AMEN1MMP2MMP9MMP8
SCHEMBL10219934 0.82 VSIR (0.49) KMT2AMEN1ALDH1A1NPSR1MAPT
SCHEMBL2688589 0.82 MAPT (0.54) KMT2AMEN1ALDH1A1MMP2MMP9
SCHEMBL12997113 0.81 VSIR (0.47) KMT2AMEN1ALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
US-8829035-B2 Agent for treatment or prevention of diseases associated with activity of neurotrophic factors SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-09 US disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 EP disclosed
EP-2436683-B1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL CO (JP) 2014-05-14 EP disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 US disclosed
US-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-10 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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 KMT2A 4282/4885MEN1 2349/4885ALDH1A1 1772/4885

“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.