SCHEMBL920867

SCHEMBL920867

Fc1cccc(Cn2c[c]cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
DBH P09172 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 3/20 0.41
POLB P06746 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL919179 0.79 NPC1 (0.50) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL3260891 0.78 NPC1 (0.71) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL920259 0.78 CYP19A1 (0.46) CYP11B1CYP11B2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16347582 0.76 FEN1 (0.43) CYP11B1CYP11B2CHRM2CHRM5
SCHEMBL4179745 0.72 CYP11B1 (0.65) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL1456414 0.70 L3MBTL1 (0.53) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL9747422 0.70 CYP11B1 (1.00) CYP11B1CYP11B2POLB
SCHEMBL29630713 0.70 NPC1 (0.55) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL1680294 0.69 NPC1 (0.58) NPC1RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL27895616 0.69 L3MBTL1 (0.55) NPC1RAB9ACYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101300250-B Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD 2012-09-05 CN disclosed
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
CN-101668767-A Pyridine derivatives substituted with heterocyclic ring and phosphonoamino group and antifungal agent containing the same EISAI R&D MAN CO LTD 2010-03-10 CN disclosed
CN-101300250-A Heterocyclic substituted pyridine derivative and antifungal agent containing the same EISAI R&D MAN CO LTD (JP) 2008-11-05 CN 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-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 NPC1 2077/4885RAB9A 1125/4885CYP11B1 1179/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 NPC1 2110/4885RAB9A 164/4885CYP11B1 341/4885

“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.