SCHEMBL19088631

SCHEMBL19088631

COc1cccc(F)c1C(=O)c1cc(Cl)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.44
RORC P51449 3/20 0.44
KMT2A Q03164 3/20 0.42
S1PR2 O95136 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL2704988 0.87 RECQL (0.50) POLBALDH1A1RORCKMT2AMAPT
SCHEMBL2350397 0.86 POLB (0.49) POLBALDH1A1RORCKMT2AMAPT
SCHEMBL11846210 0.78 GABRP (0.53) ALDH1A1RORCGAAMAPTNPC1
SCHEMBL2705242 0.78 SMN1; SMN2 (0.59) POLBALDH1A1GAAMAPTKDM4E
SCHEMBL15473715 0.78 POLB (0.40) POLBALDH1A1RORCGAAMAPT
SCHEMBL27877492 0.78 CA12 (0.59) POLBRORCKMT2ANPC1RAB9A
SCHEMBL3218274 0.73 CSF1R (0.43) POLBRORC
SCHEMBL4119074 0.73 NPC1 (0.47) ALDH1A1RORCKMT2AMEN1GAA
SCHEMBL4118699 0.73 RECQL (0.46) ALDH1A1KMT2AMEN1MAPT
SCHEMBL1502321 0.73 ALDH1A1 (0.48) POLBALDH1A1GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017513-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido [5,4-D][2]benzazepin-2-YL]amino}-2-methoxybenzoate MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170190706-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE MILLENNIUM PHARMACEUTICALS, INC. 2017-07-06 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 (2 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-20170190706-A1 CRYSTALLINE FORMS OF SODIUM 4--2-METHOXYBENZOATE AURKB, AURKA, AURKC POLB 1728/4885ALDH1A1 1984/4885RORC 1924/4885
US-10017513-B2 Crystalline forms of sodium 4-{[9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido [5,4-D][2]benzazepin-2-YL]amino}-2-methoxybenzoate AURKA, AURKB, AURKC POLB 1260/4885ALDH1A1 2582/4885RORC 1607/4885

“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.