SCHEMBL19258816

SCHEMBL19258816

FC(F)(F)c1cc(-c2cc(C(F)(F)F)ccn2)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.52
NOS2 P35228 1/20 0.52
KDM1A O60341 1/20 0.43
KMO O15229 2/20 0.42
PIM1 P11309 2/20 0.41
TGFBR1 P36897 2/20 0.41
ADRB1 P08588 1/20 0.40
TDO2 P48775 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
KIF11 P52732 1/20 0.38
HDAC1 Q13547 1/20 0.38
IDO1 P14902 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 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
SCHEMBL13692256 0.89 NOS3 (0.42) NOS3NOS2KDM1AKMOPIM1
SCHEMBL21945479 0.88 KDM1A (0.49) NOS3NOS2KDM1AKMOPIM1
SCHEMBL13878872 0.85 NOS3 (0.42) NOS3NOS2KDM1AKMOPIM1
SCHEMBL810884 0.85 NOS3 (0.61) NOS3NOS2KMOADRB1KIF11
SCHEMBL19072738 0.85 NOS3 (0.48) NOS3NOS2KMOPIM1TGFBR1
SCHEMBL19072769 0.85 TDP1 (0.43) NOS3NOS2KDM1AKMOPIM1
SCHEMBL27764812 0.84 KIF11 (0.52) NOS3NOS2KDM1ATGFBR1S1PR1
SCHEMBL18002611 0.84 NOS3 (0.41) NOS3NOS2KDM1AKMOPIM1
SCHEMBL1092259 0.83 CCR1 (0.55) NOS3NOS2KDM1AABL1BCR
SCHEMBL2625107 0.82 ASIC3 (0.53) NOS3NOS2KMOTGFBR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-08-17 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-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS L1CAM, ETFA, TTI2 NOS3 3019/4885NOS2 1659/4885KDM1A 2230/4885

“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.