SCHEMBL2687950

SCHEMBL2687950

CCCCNc1ccc(-c2nc3ccccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
POLB P06746 2/20 0.59
MAPT P10636 5/20 0.52
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HCAR3 P49019 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 2/20 0.46
HSPD1 P10809 1/20 0.46
PTPN2 P17706 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
SCHEMBL12997350 0.90 KAT2B (0.53) TP53POLBMAPTMMP2MMP9
SCHEMBL2687689 0.89 MAPT (0.58) TP53MAPTMMP2MMP9MMP8
SCHEMBL12997114 0.88 MMP2 (0.52) TP53POLBMAPTMMP2MMP9
SCHEMBL2688641 0.87 KMT2A (0.56) TP53POLBMAPTMMP2MMP9
SCHEMBL2688025 0.87 MMP2 (0.50) TP53POLBMAPTMMP2MMP9
SCHEMBL12997100 0.86 MMP2 (0.47) TP53POLBMAPTMMP2MMP9
SCHEMBL2689004 0.84 MMP2 (0.52) TP53POLBMAPTMMP2MMP9
SCHEMBL2688307 0.83 POLB (0.61) TP53POLBMAPTMMP2MMP9
SCHEMBL10219758 0.83 MAPT (0.61) POLBMAPTMMP2MMP9MMP8
SCHEMBL2688589 0.82 MAPT (0.54) POLBMAPTMMP2MMP9MMP8

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
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
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
CN-102428080-A Therapeutic or prophylactic agent for diseases in which neurotrophic factor activity participates SUMITOMO CHEMICAL CO 2012-04-25 CN 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 TP53 3123/4885POLB 3270/4885MAPT 2988/4885

“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.