SCHEMBL3216650

SCHEMBL3216650

CCCOc1c[c]c(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
C3AR1 Q16581 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PLK1 P53350 1/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDK2 Q15119 1/20 0.37
PTPN7 P35236 1/20 0.37

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
SCHEMBL3227349 0.92 LTA4H (0.44) LTA4HCA12CA1CA2CA7
SCHEMBL3226689 0.87 NR5A1 (0.51) LTA4HLMNANPC1MAPTRAB9A
SCHEMBL455746 0.84 NQO1 (0.52) LTA4HCA12CA1CA2CA7
SCHEMBL14814084 0.83 KDM4E (0.36) L3MBTL1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL1404319 0.78 LTA4H (0.44) LTA4HCA12CA1CA2CA7
SCHEMBL7243216 0.77 LTA4H (0.43) LTA4HCA12CA1CA2CA7
SCHEMBL21268351 0.76 LTA4H (0.43) LTA4HCA12CA1CA2CA7
SCHEMBL9682626 0.76 TUBB4A (0.43) LTA4HCA12CA1CA2CA7
1,4-Dipropoxybenzene SCHEMBL122039 0.73 LTA4H (0.67) LTA4HCA12CA1CA2CA7
SCHEMBL163245 0.73

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
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP claimed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO claimed
CN-104311480-A Picolinamide derivatives as kinase inhibitors NOVARTIS AG 2015-01-28 CN disclosed
EP-2688886-A1 AZOLE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-01-29 EP disclosed
WO-2012129338-A1 AZOLE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-09-27 WO disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX LTA4H 1920/4885CA12 1358/4885CA1 615/4885

“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.