SCHEMBL677094

SCHEMBL677094

COc1cc(C(F)(F)F)c(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.38
ULK1 O75385 1/20 0.38
CYP11B2 P19099 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
NOTUM Q6P988 1/20 0.36
MBOAT4 Q96T53 1/20 0.34
NNMT P40261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL15616200 0.83 GABRP (0.40) MEN1KMT2AMAPTGAANPSR1
SCHEMBL16782987 0.82 MAPK1 (0.38) MAPTGAANPSR1MCOLN3ULK1
SCHEMBL21027835 0.79 MEN1 (0.47) MEN1KMT2AMAPTGAANPSR1
SCHEMBL17808198 0.78 MBOAT4 (0.35) MEN1KMT2AMAPTNPSR1ULK1
SCHEMBL17071825 0.78 MEN1 (0.49) MEN1KMT2AMAPTGAANPSR1
SCHEMBL15464741 0.77 IL1B (0.39) MAPTGAANPSR1MBOAT4L3MBTL1
SCHEMBL20907133 0.76 MEN1 (0.42) MEN1KMT2AMAPTGAANPSR1
SCHEMBL19544344 0.76 UHRF1 (0.40) MEN1KMT2AMAPTNPSR1ULK1
SCHEMBL30510541 0.76 UHRF1 (0.40) MEN1KMT2AMAPTNPSR1ULK1
SCHEMBL8429223 0.76 NNMT (0.46) MEN1KMT2AMAPTGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2025-04-01 US disclosed
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
CN-118591534-A Novel benzimidazole pyridine derivatives 豪夫迈·罗氏有限公司 2024-09-03 CN disclosed
WO-2024175907-A1 MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS C4X DISCOVERY LIMITED (GB) 2024-08-29 WO disclosed
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING FACIT INC. (CA) 2023-07-13 US disclosed
CN-101822253-A The method of control of microbicide compositions and plant disease ISHIHARA SANGYO KAISHA 2010-09-08 CN disclosed
CN-100581362-C Bactericide composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA 2010-01-20 CN disclosed
US-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-01 US disclosed
CN-101215260-A Method for preparing benzoylpyridine derivatices and salt thereof ISHIHARA SANGYO KAISHA (JP) 2008-07-09 CN disclosed
CN-101199274-A Bactericide composition and method for controlling plant disease ISHIHARA SANGYO KAISHA (JP) 2008-06-18 CN disclosed
CN-1874680-A bactericide composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA (JP) 2006-12-06 CN disclosed
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-08-31 US disclosed
EP-1679003-A1 BACTERICIDE COMPOSITION AND METHOD OF CONTROLLING PLANT DISEASE ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-12 EP disclosed
US-20060089390-A1 3-benzoyl-2,4,5-substituted pyridine derivatives or salts thereof and bactericides containing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-04-27 US disclosed
EP-1559320-A1 3-BENZOYL-2,4,5-SUBSTITUTED PYRIDINE DERIVATIVES OR SALTS THEREOF AND BACTERICIDES CONTAINING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-03 EP 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 (6 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-20090247763-A1 FUNGICIDAL COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES CBR3, CBR1, CNPY2 MEN1 3117/4885KMT2A 2040/4885MAPT 4140/4885
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 MEN1 3660/4885KMT2A 355/4885MAPT 2234/4885
US-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 MEN1 1114/4885KMT2A 925/4885MAPT 2944/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 MEN1 455/4885KMT2A 2000/4885MAPT 2184/4885
US-20060194849-A1 Fungicidal composition and method for controlling plant diseases CBR3, CNPY2, PAH MEN1 3219/4885KMT2A 2575/4885MAPT 4366/4885
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 MEN1 3660/4885KMT2A 355/4885MAPT 2234/4885

“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.