SCHEMBL3008680

SCHEMBL3008680

O=C(O)c1cc(-c2cnc[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
IDO1 P14902 2/20 0.41
CYP3A4 P08684 1/20 0.41
SCN9A Q15858 1/20 0.41
FTO Q9C0B1 1/20 0.41
CES2 O00748 1/20 0.40
BRAF P15056 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGDS O60760 1/20 0.39
MAPT P10636 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
DHODH Q02127 1/20 0.37
SRD5A2 P31213 1/20 0.37
MAPK1 P28482 2/20 0.36
MAP2K4 P45985 2/20 0.36
MAPK6 Q16659 2/20 0.36
MAPKAPK3 Q16644 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
SCHEMBL14906603 0.84 SCN9A (0.49) IDO1CYP3A4SCN9APOLBSMN1; SMN2
SCHEMBL2997657 0.81 BRAF (0.40) RXRAIDO1CYP3A4SCN9ACES2
SCHEMBL17048588 0.77 RXRA (0.72) RXRARXRBRXRGCES2DHODH
SCHEMBL2997649 0.75 CD74 (0.58) RXRARXRBRXRGFTOCES2
SCHEMBL6813952 0.74 CYP3A4 (0.42) IDO1CYP3A4FTOSMN1; SMN2HPGDS
SCHEMBL27484945 0.74 RXRA (0.63) RXRARXRBRXRGFTODHODH
SCHEMBL2996698 0.73 RXRA (0.50) RXRARXRBRXRGIDO1CES2
SCHEMBL26682553 0.73 RXRA (0.50) RXRARXRBRXRGCES2MRGPRX4
SCHEMBL3082270 0.73 RXRA (0.72) RXRARXRBRXRGCES2DHODH
SCHEMBL503980 0.73 CES2 (0.70) RXRARXRBRXRGCES2MRGPRX4

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 9 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-20150112071-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-04-23 US disclosed
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-20140256947-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 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
US-20100197924-A1 PREPARATION OF AMINOTETRALIN COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-05 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.