SCHEMBL4514838

SCHEMBL4514838

NC(c1ccccc1)c1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FLT3 P36888 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
CA2 P00918 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAOB P27338 1/20 0.41
AGXT P21549 1/20 0.41
CYP26A1 O43174 1/20 0.40
CYP2A6 P11509 2/20 0.40

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
Hydrochloric Acid SCHEMBL12987906 0.98 RAB9A (0.44) RAB9ANPC1ALDH1A1LMNATHRB
SCHEMBL24620886 0.86 NPC1 (0.46) NPC1LMNAFLT3LOXL2TSHR
SCHEMBL9025596 0.83 KMT2A (0.43) RAB9ANPC1LMNAFLT3LOXL2
SCHEMBL9025978 0.82 CYP19A1 (0.43) RAB9ANPC1ALDH1A1LMNAFLT3
SCHEMBL29772198 0.82 CFTR (0.42) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL22105645 0.82 CFTR (0.42) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL24621095 0.81 CYP19A1 (0.42) RAB9ANPC1ALDH1A1FLT3LOXL2
SCHEMBL28559346 0.80 RAB9A (0.44) RAB9ANPC1ALDH1A1LMNATHRB
SCHEMBL8867049 0.79 NPC1 (0.44) RAB9ANPC1ALDH1A1LMNATHRB
SCHEMBL10362278 0.77 CYP2D6 (0.46) RAB9ANPC1ALDH1A1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 US claimed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 EP claimed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 WO claimed
US-20090054445-A1 Amide Substituted Quinolines ASTRAZENECA AB (SE) 2009-02-26 US disclosed
EP-1981882-A1 AMIDE SUBSTITUTED QUINOLINES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007086799-A1 AMIDE SUBSTITUTED QUINOLINES ASTRAZENECA AB (SE) 2007-08-02 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-20090054445-A1 Amide Substituted Quinolines RECQL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0 RAB9A 556/4885NPC1 980/4885ALDH1A1 903/4885

“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.