SCHEMBL6450847

SCHEMBL6450847

COc1ccccc1-c1nnc(-c2ccccc2)o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.64
NPC1 O15118 10/20 0.64
SMN1; SMN2 Q16637 9/20 0.64
ALDH1A1 P00352 7/20 0.64
HPGD P15428 7/20 0.64
KDM4E B2RXH2 5/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 1/20 0.62
ATR Q13535 1/20 0.60
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TP53 P04637 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
EGFR P00533 1/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
HSD17B10 Q99714 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL4820143 0.87 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12171732 0.85 NPC1 (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL8057350 0.85 KDM4E (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL28800094 0.83 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11816106 0.83 RAB9A (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL12171886 0.82 PPARD (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL20533001 0.81 EGFR (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6451390 0.81 ALDH1A1 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL5338382 0.81 NPC1 (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9341648 0.81 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104685416-B Photosensitive polymer combination, using its cured film preparation method, cured film, liquid crystal display device and organic EL display device 富士胶片株式会社 2019-05-14 CN disclosed
CN-104685416-A Photosensitive resin composition, method for forming cured film using same, cured film, liquid crystal display device, and organic el display device FUJIFILM CORP 2015-06-03 CN disclosed
CN-104059058-A Compositions and methods for controlling nematodes MONSANTO TECHNOLOGY LLC 2014-09-24 CN disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC RAB9A 2483/4885NPC1 59/4885SMN1; SMN2 4633/4885

“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.