SCHEMBL4801178

SCHEMBL4801178

CNC(=O)c1ccccc1-c1cc2c(cc1F)/C=C\c1ccc([N+](=O)[O-])cc1N(C(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.41
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RORC P51449 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RECQL P46063 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
WDR5 P61964 3/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
MAPT P10636 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL4801187 1.00 HSD17B3 (0.41) HSD17B3ALDH1A1POLBKMT2ALMNA
SCHEMBL4796925 0.91 MAPT (0.40) HSD17B3ALDH1A1POLBKMT2ALMNA
SCHEMBL4796911 0.91 MAPT (0.40) HSD17B3ALDH1A1POLBKMT2ALMNA
SCHEMBL4800142 0.86 HSD17B3 (0.46) HSD17B3GAAALOX5APFEN1KDM4E
SCHEMBL4800132 0.86 HSD17B3 (0.46) HSD17B3GAAALOX5APFEN1KDM4E
SCHEMBL4796170 0.85 HSD17B3 (0.54) HSD17B3ALDH1A1KMT2AGAAALOX5AP
SCHEMBL4796176 0.85 HSD17B3 (0.54) HSD17B3ALDH1A1KMT2AGAAALOX5AP
SCHEMBL4797036 0.84 CYP11B2 (0.39) HSD17B3ALDH1A1POLBKMT2ALMNA
SCHEMBL4797061 0.84 CYP11B2 (0.39) HSD17B3ALDH1A1POLBKMT2ALMNA
SCHEMBL4801450 0.80 HSD17B3 (0.56) HSD17B3GAA

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
US-7417040-B2 Fused tricyclic compounds as inhibitors of 17β-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 BRISTOL-MYERS SQUIBB COMPANY 2005-11-10 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-20050250753-A1 Fused tricyclic compounds as inhibitors of 17beta-hydroxysteroid dehydrogenase 3 HSD17B3, HSD17B11, HSD17B1 HSD17B3 1/4885ALDH1A1 186/4885POLB 681/4885

“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.