SCHEMBL1198618

SCHEMBL1198618

COc1cccc(C(=O)c2cc(I)ccc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
HTT P42858 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
CYP2C8 P10632 1/20 0.49
PARP1 P09874 1/20 0.49
STS P08842 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
VNN1 O95497 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL17842222 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HTTCES2
SCHEMBL1513038 0.78 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL5359509 0.77 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL31414638 0.77 CES2 (0.77) RAB9ANPC1SMN1; SMN2CES2CES1
SCHEMBL4823687 0.77 CES2 (0.77) RAB9ANPC1SMN1; SMN2CES2CES1
SCHEMBL1309846 0.76 TUBB4A (0.50) SMN1; SMN2LMNA
SCHEMBL15628231 0.76 PARP1 (0.54) RAB9ANPC1SMN1; SMN2POLBHTT
SCHEMBL24688551 0.75 CES2 (0.56) RAB9ANPC1SMN1; SMN2POLBHTT
Hydrochloric Acid SCHEMBL27733557 0.75 CES2 (0.74) RAB9ANPC1SMN1; SMN2CES2CES1
SCHEMBL9520003 0.74 RAB9A (0.74) RAB9ANPC1SMN1; SMN2POLBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812112-B1 Benzodiazepine derivatives as ROCK kinases inhibitors GLAXOSMITHKLINE LLC (US) 2011-04-27 EP disclosed
EP-1812112-B1 Benzodiazepine derivatives as ROCK kinases inhibitors GLAXOSMITHKLINE LLC (US) 2011-04-27 EP disclosed
US-7888503-B2 Benzodiazepine derivatives that inhibit rock GLAXOSMITHKLINE LLC (US) 2011-02-15 US disclosed
US-7888503-B2 Benzodiazepine derivatives that inhibit rock GLAXOSMITHKLINE LLC (US) 2011-02-15 US disclosed
US-7888503-B2 Benzodiazepine derivatives that inhibit rock GLAXOSMITHKLINE LLC (US) 2011-02-15 US disclosed
US-20090143366-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
US-20090143366-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
US-20090143366-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1812112-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006044753-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-27 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-20090143366-A1 CHEMICAL COMPOUNDS ROCK2, ROCK1, ABL1 RAB9A 480/4885NPC1 1091/4885SMN1; SMN2 3969/4885

“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.