SCHEMBL17585457

SCHEMBL17585457

COc1cc2ccc(C(F)(F)F)cc2nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.43
▸ CACNA1D Q01668 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ MBOAT4 Q96T53 1/20 0.41
▸ NCS1 P62166 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GFER P55789 1/20 0.40
▸ GAK O14976 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ STK16 O75716 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ BMP2K Q9NSY1 1/20 0.39
▸ NLK Q9UBE8 1/20 0.39
▸ IRAK3 Q9Y616 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 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
SCHEMBL12068382 0.83 NQO2 (0.44) LRRK2CACNA1DBACE1GAKRIPK2
SCHEMBL1722692 0.80 KDM4E (0.46) BACE1NCS1ALDH1A1KDM4E
SCHEMBL12014783 0.79 ALDH1A1 (0.45) ALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL16788276 0.77 KMT2A (0.56) ALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL21642439 0.76 PGK1 (0.38) LRRK2CACNA1DMBOAT4ALDH1A1GAK
SCHEMBL21090195 0.76 ALDH1A1 (0.43) BACE1ALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL29911314 0.76 ALDH1A1 (0.43) BACE1ALDH1A1GFERKDM4ESMN1; SMN2
SCHEMBL1722795 0.76 BACE1 (0.53) BACE1ALDH1A1GFERKDM4E
SCHEMBL17585456 0.76 ALDH1A1 (0.43) ALDH1A1GFERGAKKDM4ESMN1; SMN2
SCHEMBL13347572 0.74 MAPT (0.50) LRRK2ALDH1A1KDM4ESMN1; SMN2

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-11685738-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof OCUTERRA THERAPEUTICS, INC. (US) 2023-06-27 — — US disclosed
US-20170369490-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FELIQS CORPORATION (JP) 2017-12-28 — — US disclosed
US-9790222-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof SCIFLUOR LIFE SCIENCES, INC. (US) 2017-10-17 — — US disclosed
US-20170291900-A1 FLUORINATED INTEGRIN ANTAGONISTS FELIQS CORPORATION (JP) 2017-10-12 — — US disclosed
US-9717729-B2 Fluorinated integrin antagonists SCIFLUOR LIFE SCIENCES, INC. (US) 2017-08-01 — — US disclosed
US-20170071939-A1 FLUORINATED INTEGRIN ANTAGONISTS FELIQS CORPORATION (JP) 2017-03-16 — — US disclosed
US-9518053-B2 Fluorinated integrin antagonists SCIFLUOR LIFE SCIENCES, INC. (US) 2016-12-13 — — US disclosed
US-20160244447-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FELIQS CORPORATION (JP) 2016-08-25 — — US disclosed
US-20160075698-A1 FLUORINATED INTEGRIN ANTAGONISTS FELIQS CORPORATION (JP) 2016-03-17 — — 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 (6 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-20170071939-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 LRRK2 2732/4885CACNA1D 2041/4885BACE1 4265/4885
US-20170369490-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 LRRK2 2892/4885CACNA1D 3788/4885BACE1 4547/4885
US-11685738-B2 Fluorinated tetrahydronaphthyridinyl nonanoic acid derivatives and uses thereof FFAR3, FFAR2, FFAR1 LRRK2 2892/4885CACNA1D 3788/4885BACE1 4547/4885
US-20160244447-A1 FLUORINATED TETRAHYDRONAPHTHYRIDINYL NONANOIC ACID DERIVATIVES AND USES THEREOF FFAR3, FFAR2, FFAR1 LRRK2 2892/4885CACNA1D 3788/4885BACE1 4547/4885
US-20160075698-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 LRRK2 2732/4885CACNA1D 2041/4885BACE1 4265/4885
US-20170291900-A1 FLUORINATED INTEGRIN ANTAGONISTS ITGB5, ITGB1, ITGA5 LRRK2 2732/4885CACNA1D 2041/4885BACE1 4265/4885

“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.

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