SCHEMBL2996698

SCHEMBL2996698

O=C(O)c1cc(-c2cn[nH]c2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
RXRG P48443 2/20 0.50
CNR1 P21554 1/20 0.44
KCNH2 Q12809 1/20 0.44
ROCK1 Q13464 2/20 0.41
MYLK4 Q86YV6 1/20 0.41
NPBWR1 P48145 2/20 0.40
RET P07949 1/20 0.40
DHODH Q02127 1/20 0.40
CES2 O00748 1/20 0.40
P2RY14 Q15391 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3506781 0.84 AKT1 (0.48) ROCK1DHODHAKT1AKT2ROCK2
SCHEMBL17048588 0.81 RXRA (0.72) RXRARXRBRXRGCNR1DHODH
SCHEMBL20040983 0.78 NPBWR1 (0.44) CNR1KCNH2ROCK1MYLK4NPBWR1
SCHEMBL3082270 0.77 RXRA (0.72) RXRARXRBRXRGCNR1DHODH
SCHEMBL25795129 0.75 NOTUM (0.46) CNR1KCNH2ROCK1MYLK4NPBWR1
SCHEMBL25798414 0.75 NPBWR1 (0.44) CNR1KCNH2ROCK1MYLK4NPBWR1
SCHEMBL30549950 0.75 NPBWR1 (0.44) CNR1KCNH2ROCK1MYLK4NPBWR1
SCHEMBL16054951 0.75 NPBWR1 (0.44) CNR1KCNH2ROCK1MYLK4NPBWR1
SCHEMBL121358 0.74 RXRA (0.69) RXRARXRBRXRGCNR1DHODH
SCHEMBL30469526 0.74 RXRA (0.74) RXRARXRBRXRGKCNH2DHODH

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-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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 (3 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-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 RXRA 4868/4885RXRB 4869/4885RXRG 4864/4885
US-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 RXRA 4868/4885RXRB 4869/4885RXRG 4864/4885
US-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MAP4K5, MAP4K2, MAP4K1 RXRA 4868/4885RXRB 4869/4885RXRG 4864/4885

“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.