SCHEMBL2116604

SCHEMBL2116604

O=P(O)(O)C=Cc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 7/20 0.36
NPC1 O15118 7/20 0.36
KMT2A Q03164 7/20 0.36
RAB9A P51151 5/20 0.36
HSP90AA1 P07900 2/20 0.36
AGTR1 P30556 2/20 0.36
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACP3 P15309 1/20 0.35
MAPT P10636 2/20 0.34
PTK2B Q14289 1/20 0.34

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
SCHEMBL2116602 1.00 ALDH1A1 (0.37) ALDH1A1TP53CYP1A2CYP2C9ALOX15
SCHEMBL2116514 0.87 FDPS (0.34) ALDH1A1TP53CYP1A2CYP2C9ALOX15
SCHEMBL2118203 0.83 MEN1 (0.42) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL2118208 0.83 MEN1 (0.42) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL2118631 0.82 KLK7 (0.46) ALDH1A1ALOX15MEN1NPC1KMT2A
SCHEMBL2118629 0.82 KLK7 (0.46) ALDH1A1ALOX15MEN1NPC1KMT2A
SCHEMBL2120508 0.81 KEAP1 (0.36) ALDH1A1TP53CYP1A2CYP2C9CYP2C19
SCHEMBL2120505 0.81 KEAP1 (0.36) ALDH1A1TP53CYP1A2CYP2C9CYP2C19
SCHEMBL2118373 0.81 KLK7 (0.37) ALDH1A1MEN1NPC1KMT2ARAB9A
SCHEMBL2119156 0.81 ALDH1A1 (0.31) ALDH1A1TP53CYP1A2CYP2C9ALOX15

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 4 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

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 ALDH1A1 1398/4885TP53 837/4885CYP1A2 364/4885

“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.