SCHEMBL4831345

SCHEMBL4831345

COC(=O)c1ncn(Cc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ TGM2 P21980 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ AR P10275 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL18366907 0.83 RAB9A (0.48) MAPTLMNAHDAC1SMN1; SMN2MEN1
SCHEMBL22737091 0.83 SMN1; SMN2 (0.46) MAPTLMNAHDAC1SMN1; SMN2MEN1
SCHEMBL18366885 0.82 HDAC1 (0.52) MAPTHDAC1SMN1; SMN2MEN1KMT2A
SCHEMBL19228607 0.82 NOTUM (0.44) HDAC1
SCHEMBL1414421 0.81 KLKB1 (0.50) HDAC1SMN1; SMN2CYP1A2
SCHEMBL2894916 0.79 NOTUM (0.44) HDAC1
SCHEMBL22737095 0.79 HDAC1 (0.48) HDAC1SMN1; SMN2MAPK1KDM4E
SCHEMBL22737100 0.78 HDAC1 (0.50) HDAC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23070360 0.77 KLKB1 (0.41) HDAC1SMN1; SMN2KMT2A
SCHEMBL30035949 0.76 CACNA1G (0.53) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 — — US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 — — US disclosed
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 — — CN disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — 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 (2 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885TGM2 1885/4885LMNA 2405/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885TGM2 1885/4885LMNA 2405/4885

“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.

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