SCHEMBL2361268

SCHEMBL2361268

FC(F)(F)c1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPBWR1 P48145 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KIF11 P52732 3/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ DGAT1 O75907 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CHUK O15111 1/20 0.39
▸ C1R P00736 1/20 0.39

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
SCHEMBL5681855 0.88 NPSR1 (0.59) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL20494892 0.88 DGAT1 (0.42) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL3885700 0.87 NPBWR1 (0.55) KDM4EMAPTHPGDNPBWR1ALDH1A1
SCHEMBL10284433 0.83 KIF11 (0.47) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL666767 0.79 NPBWR1 (0.43) KDM4ENPBWR1KIF11METAP2DGAT1
SCHEMBL2241014 0.79 NPSR1 (0.41) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL1358509 0.77 HRH4 (0.41) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL13483956 0.77 NPSR1 (0.54) NPSR1KDM4EMAPTHPGDPOLB
SCHEMBL30109002 0.76 RUNX1 (0.41) NPSR1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL20320804 0.76 RUNX1 (0.41) NPSR1KDM4EMAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 — — US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 — — US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 — — US disclosed
WO-2014073627-A1 METHOD FOR PROMOTING PLANT GROWTH 住友化学株式会社 (JP) 2014-05-15 — — WO disclosed
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 — — WO disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
EP-1846409-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES Pfizer Limited (GB) 2007-10-24 — — EP disclosed
EP-1671972-A1 Octahydropyrrolo[3,4-c]pyrrole derivatives Pfizer Limited (GB) 2006-06-21 — — EP disclosed
WO-2006056848-A1 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES PFIZER LIMITED (GB) 2006-06-01 — — WO disclosed
US-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives PFIZER INC. 2006-05-25 — — US disclosed
CN-1694704-A Use of (1H-benzimidazole-2-yl)-(piperazineyl)- ketaderavitive and correlative compound used as histamine H4 receptor antagonist for the treatment of allergy and asthma JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 — — CN disclosed
EP-1545532-A2 HETEROCYCLIC COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-29 — — EP disclosed
US-20040058934-A1 Heterocyclic compounds JANSSEN PHARMACEUTIC, N.V. (BE) 2004-03-25 — — US disclosed
WO-2004022060-A2 (1H-BENZOIMIDAZOL-2-YL)-(PIPERAZINYL)-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS HISTAMINE H4-RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 — — 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-20060111416-A1 Octahydropyrrolo[3,4-C]pyrrole derivatives DPYD, PAH, DHPS NPSR1 331/4885KDM4E 818/4885MAPT 1856/4885
US-20040058934-A1 Heterocyclic compounds HRH4, HRH2, HRH1 NPSR1 157/4885KDM4E 2919/4885MAPT 4613/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 NPSR1 2046/4885KDM4E 2837/4885MAPT 3473/4885

“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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