SCHEMBL167133

SCHEMBL167133

Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.54
NOTUM Q6P988 8/20 0.47
IDO1 P14902 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
KDR P35968 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.45
PYCR1 P32322 1/20 0.42
LMNA P02545 1/20 0.42
PDK1 Q15118 1/20 0.42
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL12872215 0.84 PDK1 (0.42) RAPGEF4NOTUMIDO1HTR3EHTR3B
SCHEMBL10251222 0.84 PDK1 (0.42) RAPGEF4NOTUMIDO1HTR3EHTR3B
SCHEMBL12508243 0.84 AR (0.57) RAPGEF4NOTUMIDO1HTR3EHTR3B
SCHEMBL18837644 0.83 RAPGEF4 (0.40) RAPGEF4NOTUMIDO1HTR3EHTR3B
SCHEMBL1043249 0.82 SMN1; SMN2 (0.45) RAPGEF4NOTUMPDK1MAPTTP53
SCHEMBL803633 0.79 SMN1; SMN2 (0.44) RAPGEF4LMNAPDK1MAPTTP53
SCHEMBL4273522 0.78 SMN1; SMN2 (0.45) NOTUMSMN1; SMN2
SCHEMBL14649867 0.78 AR (0.53) RAPGEF4
SCHEMBL10030392 0.76 GLA (0.54) SMN1; SMN2
SCHEMBL987352 0.76 IDO1 (0.50) RAPGEF4NOTUMIDO1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495540-B2 HEXAHYDROAZEPINE-2-ONE DERIVATIVE AS BETA-AMYLOID INHIBITOR BRISTOL - MYERS SQUIBB PHARMA COMPANY 2002-12-17 US claimed
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-24 US claimed
EP-4157844-B1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NAT RECH SCIENT (FR) 2024-07-10 EP disclosed
WO-2024073559-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023237759-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR ANAGENESIS BIOTECHNOLOGIES (FR) 2023-12-14 WO disclosed
WO-2023239768-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION (US) 2023-12-14 WO disclosed
WO-2023230179-A1 COMPOSITIONS AND METHODS FOR DETECTING AND TREATING CANCER CASE WESTERN RESERVE UNIVERSITY (US) 2023-11-30 WO disclosed
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 WO disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
EP-0156278-B1 PROCESS FOR THE PREPARATION OF SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS, THEIR USE AND SYMMETRICAL BENZOPHENONES SUBSTITUTED BY FLUOR-CONTAINING GROUPS BAYER AG (DE) 1988-03-02 EP disclosed
US-4659720-A POULTRY ANTIPROTOZOA AGENT MERCK & CO., INC. (US) 1987-04-21 US disclosed
EP-0113570-B1 5-(AMINO OR SUBSTITUTED AMINO) IMIDAZOLES MERCK & CO. INC. (US) 1987-02-25 EP disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 EP disclosed
EP-0156278-A2 Process for the preparation of symmetrical benzophenones substituted by fluor-containing groups, their use and symmetrical benzophenones substituted by fluor-containing groups BAYER AG (DE) 1985-10-02 EP disclosed
EP-0155441-A1 A process for separating nitration isomers of substituted benzene compounds Monsanto Company (US) 1985-09-25 EP disclosed
US-4503276-A Process for separating nitration isomers of substituted benzene compounds MONSANTO COMPANY (US) 1985-03-05 US disclosed
EP-0113570-A1 5-(Amino or substituted amino) imidazoles MERCK & CO. INC. (US) 1984-07-18 EP disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 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 (2 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-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 RAPGEF4 3615/4885NOTUM 535/4885IDO1 2754/4885
US-20020010172-A1 Lactams as inhibitors of A-beta protein production BACE1, APP, APH1A RAPGEF4 2254/4885NOTUM 300/4885IDO1 2498/4885

“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.