SCHEMBL3619979

SCHEMBL3619979

CCC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C#N)COC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
MAPT P10636 5/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HPGD P15428 2/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MALT1 Q9UDY8 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 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
SCHEMBL14763113 0.91 ALDH1A1 (0.42) HSD17B10MAPTPOLBALDH1A1HPGD
SCHEMBL14860051 0.89 HSD17B10 (0.35) HSD17B10MAPTPOLBALDH1A1HPGD
SCHEMBL3613305 0.88 ALDH1A1 (0.33) HSD17B10MAPTALDH1A1HPGDF2
SCHEMBL14859650 0.88 HSD17B10 (0.34) HSD17B10MAPTPOLBALDH1A1HPGD
SCHEMBL3617930 0.88 ALDH1A1 (0.34) ALDH1A1HPGDF2GLAANO1
SCHEMBL3621354 0.88 ALDH1A1 (0.34) ALDH1A1HPGDF2GLAANO1
SCHEMBL3605351 0.88 MAPT (0.37) HSD17B10MAPTPOLBALDH1A1HPGD
SCHEMBL3612904 0.86 AAK1 (0.32) SMN1; SMN2ANO1
SCHEMBL3617630 0.85 HPGDS (0.33) ALDH1A1HPGDF2GLAANO1
SCHEMBL29814914 0.84 ALDH1A1 (0.39) HSD17B10MAPTPOLBALDH1A1HPGD

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
WO-2010058416-A1 QUINAZOLINONE LINKED PYRROLO[2,1 -C][1.4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FORTHE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-05-27 WO claimed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
EP-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO 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-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 HSD17B10 998/4885MAPT 3609/4885POLB 4679/4885

“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.