SCHEMBL2689004

SCHEMBL2689004

CC(C)(C)CNc1ccc(-c2nc3ccccc3o2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
MAPT P10636 5/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
HSPD1 P10809 2/20 0.47
PTPN2 P17706 2/20 0.47
PTPN1 P18031 2/20 0.47
PTPN5 P54829 2/20 0.47
HSPE1 P61604 2/20 0.47
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2687689 0.88 MAPT (0.58) MMP2MMP9MMP8MMP13MAPT
SCHEMBL10219545 0.86 MMP2 (0.55) MMP2MMP9MMP8MMP13MAPT
SCHEMBL12997114 0.85 MMP2 (0.52) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2687950 0.84 TP53 (0.59) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2688307 0.84 POLB (0.61) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2688025 0.83 MMP2 (0.50) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2688641 0.83 KMT2A (0.56) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2688589 0.83 MAPT (0.54) MMP2MMP9MMP8MMP13MAPT
SCHEMBL12997350 0.82 KAT2B (0.53) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2687092 0.81 POLB (0.56) MMP2MMP9MMP8MMP13MAPT

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 6 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
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 MMP2 121/4885MMP9 584/4885MMP8 62/4885

“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.