SCHEMBL4127278

SCHEMBL4127278

O=[N+]([O-])c1ccc2[nH]c3cc(C(F)(F)F)ccc3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 14/20 1.00
▸ PARP1 P09874 2/20 0.52
▸ GABRA1 P14867 1/20 0.51
▸ GABRG2 P18507 1/20 0.51
▸ GABRB3 P28472 1/20 0.51
▸ GABRA5 P31644 1/20 0.51
▸ GABRA2 P47869 1/20 0.51
▸ CTSV O60911 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49

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
SCHEMBL4136730 0.94 KIF11 (0.89) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL4132327 0.93 KIF11 (0.86) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL29540314 0.81 GABRA1 (0.70) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL155013 0.81 GABRA1 (0.70) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL6008297 0.78 PARP1 (0.73) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL29993384 0.78 PARP1 (0.73) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL19785406 0.78 KIF11 (0.81) KIF11CA12CA9
SCHEMBL151534 0.77 CTSV (0.79) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL30272742 0.77 CTSV (0.79) KIF11PARP1GABRA1GABRG2GABRB3
SCHEMBL30272743 0.77 CTSV (0.79) KIF11PARP1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 — — US disclosed
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 — — US disclosed
EP-1771176-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-11 — — EP disclosed
WO-2006005063-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-12 — — WO 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-20090170882-A1 Methods and compositions KIF5B, KIF5C, KIF2C KIF11 10/4885PARP1 1291/4885GABRA1 3441/4885

“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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