SCHEMBL2687359

SCHEMBL2687359

Cc1nc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3O)ccc2n1C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
KCNMA1 Q12791 1/20 0.41
YEATS4 O95619 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAP3K7 O43318 1/20 0.40
IRAK1 P51617 1/20 0.40

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
SCHEMBL10219968 0.78 L3MBTL1 (0.50) L3MBTL1USP2PKMMAPTLMNA
SCHEMBL2687048 0.75 L3MBTL1 (0.77) L3MBTL1USP2PKMMAPTLMNA
SCHEMBL2687881 0.74 L3MBTL1 (0.61) L3MBTL1USP2PKMMAPTLMNA
Hydrochloric Acid SCHEMBL2687882 0.74 L3MBTL1 (0.76) L3MBTL1USP2PKMMAPTLMNA
SCHEMBL2689202 0.73 RAB9A (0.53) USP2PKMMAPTTHRBALDH1A1
SCHEMBL2688256 0.71 RAB9A (0.50) L3MBTL1USP2PKMMAPTLMNA
SCHEMBL6260473 0.71 NPC1 (0.70) MAPTKCNMA1TDP1
SCHEMBL30856635 0.68 CDK9 (0.46) L3MBTL1MAPTLMNAPOLBTDP1
SCHEMBL31344836 0.67 MAPT (0.56) MAPTLMNAKCNMA1TDP1ALDH1A1
SCHEMBL7301422 0.66 HTT (0.73) MAPTLMNAKCNMA1TDP1ALDH1A1

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 9 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
WO-2010137349-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS 住友化学株式会社 (JP) 2010-12-02 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-20120115856-A1 AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS BDNF, NGF, NTRK2 IRAK4 1058/4885L3MBTL1 1413/4885USP2 4035/4885

“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.