SCHEMBL110827

SCHEMBL110827

O=C(Cl)c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 2/20 0.48
CES2 O00748 1/20 0.47
GRIK1 P39086 1/20 0.46
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
TMPRSS4 Q9NRS4 7/20 0.43
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
P2RX1 P51575 1/20 0.42
P2RX4 Q99571 1/20 0.42
P2RX7 Q99572 1/20 0.42
POLQ O75417 1/20 0.41

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
SCHEMBL28462798 0.86 RAB9A (0.50) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL427243 0.86 SMN1; SMN2 (0.59) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL927354 0.85 TMPRSS4 (0.50) RAB9ACYP1A2CYP2D6CYP2C19TP53
SCHEMBL7779187 0.83 RAB9A (0.50) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL31591114 0.83 RAB9A (0.50) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL3922426 0.83 RAB9A (0.47) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL2634026 0.82 KDM4E (0.62) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL28661823 0.82 AR (0.55) RAB9ACYP1A2CYP2D6CYP2C19CES2
Hydrochloric Acid SCHEMBL4377513 0.81 RAB9A (0.46) RAB9ACYP1A2CYP2D6CYP2C19SMN1; SMN2
SCHEMBL25387702 0.81 CES2 (0.47) CES2FLT1FLT4KDRTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4551560-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR Huyabio International, LLC (US) 2025-05-14 EP disclosed
CN-118255659-A Preparation method of 2-trifluoromethyl benzoyl chloride and derivatives thereof 辽宁天予化工有限公司 2024-06-28 CN disclosed
WO-2023177591-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC (US) 2023-09-21 WO disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
US-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR HUYABIO INTERNATIONAL, LLC 2023-09-14 US disclosed
CN-111348996-B 2-benzoyl malonate compound, and preparation method and application thereof 江苏联化科技有限公司 2023-09-08 CN disclosed
CN-116535358-A Benzamide derivative with sulfur-containing cyano pyrazole structure, preparation method and application thereof 西北农林科技大学 2023-08-04 CN disclosed
CN-113968775-A Intermediate compound for preparing 4-chloro-2-trifluoromethyl-acetophenone, preparation method and application thereof 江苏丰山集团股份有限公司 2022-01-25 CN disclosed
WO-2020132792-A1 2-BENZOYL MALONATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏联化科技有限公司 2020-07-02 WO disclosed
CN-1066439-C Method for prepn. of isoxazoles herbicides RHONE POULENC AGROCHIMIE (GB) 2001-05-30 CN disclosed
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
CN-1037058-C Herbicide composition and use thereof RHONE POULENC AGRICULTURE (GB) 1998-01-21 CN disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
CN-1141294-A Method for prepn. of isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1997-01-29 CN disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
CN-1050188-A ISOXAZOLES HERBICIDES RHONE POULENC AGRICULTURE (GB) 1991-03-27 CN disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 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 (1 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-20230286948-A1 HALOALKYLPYRIDYL TRIAZOLE MLL1-WDR5 PROTEIN-PROTEIN INTERACTION INHIBITOR WDR5, WDR1, WDR3 RAB9A 3700/4885CYP1A2 4067/4885CYP2D6 4055/4885

“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.