Sugi Predict

Sugi Predict / Compounds / SCHEMBL438369

SCHEMBL438369

SCHEMBL438369

Nc1ccc(C(F)(F)F)c(F)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.39
▸ POLB P06746 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MPL P40238 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31

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
SCHEMBL922455 0.83 KIF11 (0.41) KIF11POLBGLAGAATSHR
SCHEMBL9144284 0.81 KIF11 (0.39) KIF11POLBGLAGAATSHR
SCHEMBL9219920 0.81 KIF11 (0.44) KIF11POLBGLAGAATSHR
SCHEMBL16330269 0.77 KIF11 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL437464 0.77 KIF11 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL31295797 0.77 KIF11 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL1028179 0.77 KIF11 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL438930 0.77 MPL (0.38) KIF11POLBGLAGAATSHR
SCHEMBL5594767 0.77 KIF11 (0.37) KIF11POLBGLAGAATSHR
SCHEMBL9747725 0.77 KIF11 (0.37) KIF11POLBGLAGAATSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102388044-A Heterocyclic inhibitors of histamine receptors for the treatment of diseases KALYPSYS INC 2012-03-21 — — CN disclosed
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
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
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 — — WO disclosed
CN-1208331-C Di (trialkylbenzotri acid anhydride) devivative for optic communication SAMSUNG ELECTRONICS CO LTD (KR) 2005-06-29 — — CN disclosed
CN-1176076-C Bis(dialkylmaleimide) derivative and polyetherimide for optical communications formed therefrom 三星电子株式会社 2004-11-17 — — CN disclosed
CN-1138819-C Bis (trialkyl trimellitic anhydride) derivatives and polyesterimides for optical communications 三星电子株式会社 2004-02-18 — — CN disclosed
CN-1131264-C Polyimide for optical communications and method for preparing the same SAMSUNG ELECTRONICS CO LTD (KR) 2003-12-17 — — CN disclosed
CN-1425660-A Di (trialkylbenzotri acid anhydride) devivative for optic communication SAMSUNG ELECTRONICS CO LTD (KR) 2003-06-25 — — CN disclosed
CN-1226572-A Bis (trialkyl trimellitic anhydride) derivatives and polyesterimides for optical communications SAMSUNG ELECTRONICS CO LTD (KR) 1999-08-25 — — CN disclosed
CN-1225359-A Bis(dialkylmaleimide) derivative and polyetherimide for optical communications formed therefrom SAMSUNG ELECTRONICS CO LTD (KR) 1999-08-11 — — CN disclosed
CN-1212973-A Polyimide for optical communications and method for preparing the same SAMSUNG ELECTRONICS CO LTD (KR) 1999-04-07 — — CN disclosed
US-5449741-A Electronics with impact strength NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1995-09-12 — — 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KIF11 4724/4885POLB 4705/4885GLA 3706/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KIF11 4724/4885POLB 4705/4885GLA 3706/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 KIF11 4724/4885POLB 4705/4885GLA 3706/4885

“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.