SCHEMBL440690

SCHEMBL440690

CCOC(=O)Nc1ccc(C(F)(F)F)cc1C#C[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 4/20 0.47
KCNQ3 O43525 3/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNQ4 P56696 2/20 0.44
KCNQ5 Q9NR82 2/20 0.44
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPT P10636 3/20 0.39
MAOB P27338 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL404925 0.85 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL2534374 0.84 LMNA (0.44) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
SCHEMBL439922 0.83 NLRP3 (0.52) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
SCHEMBL29646429 0.83 NLRP3 (0.52) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
SCHEMBL31499740 0.81 SMN1; SMN2 (0.39) CYP1A2CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL2536549 0.79 CYP1A2 (0.44) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
SCHEMBL463622 0.76 CYP1A2 (0.54) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
SCHEMBL7507035 0.76 NLRP3 (0.52) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
SCHEMBL3888607 0.75 PLK1 (0.55) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19
SCHEMBL2532838 0.74 DPP4 (0.42) KCNQ2KCNQ3CYP1A2CYP2C9CYP2C19

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
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KCNQ2 1134/4885KCNQ3 1511/4885CYP1A2 2609/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KCNQ2 1134/4885KCNQ3 1511/4885CYP1A2 2609/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KCNQ2 1134/4885KCNQ3 1511/4885CYP1A2 2609/4885

“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.