SCHEMBL3590980

SCHEMBL3590980

O=C(c1cn(Cc2ccccc2)c2ccccc12)C(F)(F)F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.75
MAPK1 P28482 2/20 0.75
KDM4E B2RXH2 2/20 0.72
IDO1 P14902 2/20 0.67
ADORA1 P30542 2/20 0.64
NPSR1 Q6W5P4 4/20 0.64
HTT P42858 4/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
LMNA P02545 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
CNR1 P21554 1/20 0.60
CNR2 P34972 1/20 0.60
GAA P10253 1/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60

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
SCHEMBL28397328 0.86 L3MBTL1 (1.00) L3MBTL1MAPK1KDM4EADORA1NPSR1
SCHEMBL2187242 0.85 KDM4E (0.72) L3MBTL1MAPK1KDM4EIDO1ADORA1
SCHEMBL29051455 0.84 IDO1 (0.80) L3MBTL1MAPK1KDM4EIDO1LMNA
SCHEMBL29781817 0.84 KDM4E (1.00) L3MBTL1MAPK1KDM4EIDO1HTT
SCHEMBL12481275 0.84 KDM4E (1.00) L3MBTL1MAPK1KDM4EIDO1HTT
SCHEMBL2186845 0.84 KDM4E (0.74) L3MBTL1MAPK1KDM4EIDO1HTT
SCHEMBL29051451 0.84 KDM4E (0.74) L3MBTL1MAPK1KDM4EIDO1HTT
SCHEMBL5852445 0.83 NPSR1 (0.81) L3MBTL1MAPK1KDM4EADORA1NPSR1
SCHEMBL1606606 0.83 LMNA (0.80) L3MBTL1MAPK1KDM4EADORA1NPSR1
SCHEMBL3865315 0.82 L3MBTL1 (0.71) L3MBTL1MAPK1KDM4EADORA1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574048-A Bromination reaction method of remote indole C-H bond by using sunlight catalysis 陕西科技大学 2023-08-11 CN claimed
CN-117603120-A Preparation method and application of indole-3-fluoroketone compound 平顶山学院 2024-02-27 CN disclosed
CN-116574048-A Bromination reaction method of remote indole C-H bond by using sunlight catalysis 陕西科技大学 2023-08-11 CN disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 L3MBTL1 3816/4885MAPK1 703/4885KDM4E 1967/4885

“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.