SCHEMBL5756239

SCHEMBL5756239

N=C(NO)c1ccc2c(=O)c3c(sc2c1)CCCCCC3

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.34
NOD1 Q9Y239 2/20 0.34
FLT3 P36888 6/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
RAB9A P51151 4/20 0.33
ALDH1A1 P00352 4/20 0.33
NPC1 O15118 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
ABCC1 P33527 1/20 0.31
ABCC2 Q92887 1/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5740679 0.82 ALDH1A1 (0.40) TNFNOD1MEN1KMT2ARAB9A
SCHEMBL6689643 0.80 ABCC1 (0.41) TNFNOD1MEN1KMT2ARAB9A
SCHEMBL5739318 0.80 KIF11 (0.32)
SCHEMBL5741515 0.78 THRB (0.39) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL5756237 0.78 TDP1 (0.34) FLT3MEN1KMT2ARAB9AALDH1A1
SCHEMBL5756243 0.78 TDP1 (0.34) FLT3MEN1KMT2ARAB9AALDH1A1
SCHEMBL5741304 0.77 HSD17B10 (0.44) TNFNOD1FLT3MEN1KMT2A
SCHEMBL549125 0.73 ALDH1A1 (0.33) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7055126 0.71 ALDH1A1 (0.32) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL5738977 0.71 ALDH1A1 (0.38) MEN1KMT2ARAB9AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA TNF 74/4885NOD1 988/4885FLT3 4564/4885

“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.