SCHEMBL154231

SCHEMBL154231

COc1cc(C(=O)NNC(=O)Cc2ccc(F)c(F)c2)ccc1-c1cnc(C)o1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.48
ROCK1 Q13464 11/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
CYP3A4 P08684 1/20 0.46
SCD O00767 2/20 0.44
SCN9A Q15858 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
SCN5A Q14524 1/20 0.38

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
SCHEMBL154457 0.78 IMPDH2 (0.45) ROCK2ROCK1CYP3A4SCN9AMEN1
Hydrochloric Acid SCHEMBL6122860 0.77 IMPDH2 (0.44) ROCK2ROCK1CYP3A4SCN9AMEN1
SCHEMBL6122931 0.76 IMPDH2 (0.40) ROCK2ROCK1MEN1KMT2A
SCHEMBL6123291 0.74 MAPT (0.47) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL153885 0.73 CA12 (0.50)
SCHEMBL6123321 0.72 ROCK2 (0.41) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL6122776 0.71 PSEN1 (0.35) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL154570 0.71 SCN9A (0.38) ROCK2ROCK1CYP3A4SCN9AMEN1
SCHEMBL12944173 0.71 LMNA (0.51) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL6123226 0.70 SMPD1 (0.39) ROCK2ROCK1CYP3A4SCDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP ROCK2 2855/4885ROCK1 2239/4885PSEN1 4/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP ROCK2 3251/4885ROCK1 2583/4885PSEN1 5/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP ROCK2 3251/4885ROCK1 2583/4885PSEN1 5/4885

“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.