SCHEMBL16335337

SCHEMBL16335337

CC(=O)c1ccc(Cl)c(CN2CCOC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TP53 P04637 1/20 0.38
P2RX7 Q99572 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
NAAA Q02083 2/20 0.37
PKM P14618 3/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL5248237 0.81 GRM2 (0.49) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL16335719 0.79 P2RX7 (0.49) L3MBTL1P2RX7ALDH1A1KDM4EMEN1
SCHEMBL16334955 0.79 NPC1 (0.39) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL16334954 0.79 NPC1 (0.39) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3343069 0.75 CYP11B2 (0.39) NPC1RAB9AP2RX7ALDH1A1KDM4E
SCHEMBL3905576 0.73 BRD4 (0.44) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3343073 0.71 P2RX7 (0.41) P2RX7
SCHEMBL14687303 0.71 GRM2 (0.50) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13361795 0.70 PKM (0.52) NPC1RAB9AL3MBTL1ALDH1A1KDM4E
SCHEMBL24754382 0.69 GRM2 (0.46) ALDH1A1HPGDNAAAGRM2EPHX2

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-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
EP-3013816-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-04 EP disclosed
WO-2014207052-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2014-12-31 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-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NPC1 753/4885RAB9A 2327/4885L3MBTL1 2032/4885

“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.