SCHEMBL2115796

SCHEMBL2115796

O=C(Nc1cc(-c2cccc3ccccc23)c2nc(/C=C/P(=O)(O)O)ccc2c1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KCNK3 O14649 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL2115803 1.00 RAB9A (0.50) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2120067 0.88 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2120064 0.88 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2120069 0.86 SMN1; SMN2 (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2118629 0.84 KLK7 (0.46) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2118631 0.84 KLK7 (0.46) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2118373 0.82 KLK7 (0.37) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2118376 0.82 KLK7 (0.37) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2143585 0.82 POLB (0.33) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2118404 0.78 CMA1 (0.37) TDP1ROCK2ROCK1

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
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US claimed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP claimed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 WO claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 RAB9A 1148/4885NPC1 236/4885ALDH1A1 1398/4885

“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.