SCHEMBL2393585

SCHEMBL2393585

CCCCOC(=O)Nc1cc2c3c(c1)[C@@](C)(c1ccccc1)CCN3CC[C@@]2(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.47
NPC1 O15118 8/20 0.47
SMN1; SMN2 Q16637 8/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
KMT2A Q03164 1/20 0.47
RELA Q04206 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 5/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 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
SCHEMBL8988175 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2392754 1.00 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2392355 0.94 TSHR (0.47) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL8988177 0.94 TSHR (0.47) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2392361 0.94 TSHR (0.47) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2395563 0.91 TSHR (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2388483 0.91 TSHR (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL2392121 0.90 RAB9A (0.46) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL8988054 0.89 TSHR (0.47) RAB9ANPC1MAPTKMT2ATSHR
SCHEMBL2394215 0.89 TSHR (0.47) RAB9ANPC1MAPTKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 US disclosed
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2010-01-14 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 (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-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 RAB9A 977/4885NPC1 609/4885SMN1; SMN2 2355/4885
US-20100009985-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 RAB9A 977/4885NPC1 609/4885SMN1; SMN2 2355/4885

“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.