SCHEMBL4836601

SCHEMBL4836601

O=[N+]([O-])c1ccc(Cc2nc3c(s2)CCCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
POLB P06746 2/20 0.45
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
USP21 Q9UK80 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL4830924 0.78 APOBEC3A (0.47) POLBKMT2AMAPTMEN1RAB9A
SCHEMBL4834573 0.72 RAB9A (0.51) POLBKMT2AMAPTMEN1RAB9A
SCHEMBL6447819 0.70 POLB (0.61) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8094050 0.69 POLB (0.76) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8087428 0.69 POLB (0.76) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL44366 0.69 POLB (0.76) POLBKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL5172858 0.68 GAA (0.60) POLBKMT2AMAPTMEN1RAB9A
SCHEMBL3152009 0.67 KDM4E (0.53) POLBMAPTSMN1; SMN2HRH3
SCHEMBL4834106 0.67 ALDH1A1 (0.50) POLBKMT2AMAPTMEN1RAB9A
SCHEMBL4836534 0.66 POLB (0.56) POLBKMT2AMAPTMEN1RAB9A

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 3 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
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 THRB 438/4885POLB 3700/4885KMT2A 1653/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 THRB 438/4885POLB 3700/4885KMT2A 1653/4885

“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.