SCHEMBL6403889

SCHEMBL6403889

O=C(NCc1cc(CCl)no1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MMP13 P45452 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
FFAR1 O14842 1/20 0.45
ROCK2 O75116 1/20 0.44
KMT2A Q03164 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
MEN1 O00255 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL6404074 0.84 SMN1; SMN2 (0.51) NPC1RAB9AALDH1A1HTTLMNA
SCHEMBL6409368 0.83 TDP1 (0.52) MAPTNPC1RAB9AMMP13ALDH1A1
SCHEMBL6406614 0.83 NAMPT (0.48) THRBNPC1RAB9ALMNAROCK2
SCHEMBL6405202 0.83 HSP90AA1 (0.47) NPC1RAB9AALDH1A1HTTCA2
SCHEMBL6405551 0.83 KMT2A (0.41) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL6407737 0.82 HDAC6 (0.49) NPC1ALDH1A1ROCK2KMT2AHDAC1
SCHEMBL6404399 0.81 HSD17B10 (0.48) MMP13ALDH1A1ROCK2KMT2AGAA
SCHEMBL6403892 0.81 LMNA (0.49) THRBMAPTNPC1RAB9AALDH1A1
SCHEMBL6408033 0.81 NPC1 (0.52) NPC1RAB9AMMP13HTTLMNA
SCHEMBL6407783 0.81 MLYCD (0.45) MAPTLMNAROCK2KMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 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 (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-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 THRB 2021/4885MAPT 4543/4885NPC1 1915/4885

“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.