SCHEMBL1043249

SCHEMBL1043249

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NOTUM Q6P988 4/20 0.43
RAPGEF4 Q8WZA2 1/20 0.42
PDE2A O00408 1/20 0.39
AR P10275 1/20 0.38
KMO O15229 2/20 0.37
DAO P14920 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SYK P43405 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37

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
SCHEMBL25908563 0.84 PDK2 (0.39) SMN1; SMN2TP53MAPTRAB9ANOTUM
SCHEMBL21995414 0.83 CYP3A4 (0.39) SMN1; SMN2TP53MAPTRAB9ANOTUM
SCHEMBL15280202 0.83 SMN1; SMN2 (0.37) SMN1; SMN2TP53MAPTRAB9ANOTUM
SCHEMBL167133 0.82 RAPGEF4 (0.54) SMN1; SMN2TP53MAPTRAB9ANOTUM
SCHEMBL12330496 0.79 AR (0.56) MAPTARTDP1
SCHEMBL5380073 0.79 TDP1 (0.60) SMN1; SMN2TP53MAPTRAB9APDE2A
SCHEMBL803011 0.79 ALDH1A1 (0.39) SMN1; SMN2TP53MAPTCYP3A4TSHR
SCHEMBL4273522 0.78 SMN1; SMN2 (0.45) SMN1; SMN2NOTUMPDE2AARTDP1
SCHEMBL29005375 0.78 SMN1; SMN2 (0.36) SMN1; SMN2TP53MAPTRAB9ANOTUM
SCHEMBL585377 0.77 NT5E (0.46) NOTUMPDE2AKMODAOCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720076-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. Lundbeck A/S (DK) 2026-04-08 EP disclosed
US-12590106-B2 Spiromacrocyclic orexin 2 receptor agonists H. LUNDBECK A/S (DK) 2026-03-31 US disclosed
US-20250263422-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2025-08-21 US disclosed
US-20240425521-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2024-12-26 US disclosed
WO-2024246285-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS H. LUNDBECK A/S (DK) 2024-12-05 WO disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
WO-2024108090-A1 METHODS OF TREATING INFLAMMATORY CONDITIONS ATHIRA PHARMA, INC. (US) 2024-05-23 WO disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
WO-2001068652-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO disclosed
EP-0034731-B1 TRIFLUOROMETHYLBENZYLIC ESTERS, THEIR INTERMEDIATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INSECTICIDES BAYER AG (DE) 1985-10-30 EP disclosed
US-4533777-A HALOALKYLATION OF A BENZENE RING USING CARBON TETRACHLORIDE AND HYDROFLUORIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1985-08-06 US disclosed
US-4493800-A REACTING A TRIFLUOROMETHYLHALOGENOBENZENE WITH COPPER CYANIDE DAIKIN KOGYO CO., LTD. (JP) 1985-01-15 US disclosed
EP-0097357-A1 Process for preparing trifluoromethylbenzene derivatives Daikin Kogyo Co., Ltd. (JP) 1984-01-04 EP disclosed
EP-0034731-A2 Trifluoromethylbenzylic esters, their intermediates, process for their preparation and their use as insecticides BAYER AG (DE) 1981-09-02 EP disclosed
EP-0008453-B1 PROCESS FOR PREPARING TRIFLUOROMETHYL AROMATIC COMPOUNDS BAYER AG (DE) 1981-04-29 EP disclosed
EP-0008453-A1 Process for preparing trifluoromethyl aromatic compounds BAYER AG (DE) 1980-03-05 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 (5 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-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 SMN1; SMN2 3954/4885TP53 2308/4885MAPT 1175/4885
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS SMN1; SMN2 1713/4885TP53 4/4885MAPT 4552/4885
US-12590106-B2 Spiromacrocyclic orexin 2 receptor agonists HCRTR2, HCRTR1, OXER1 SMN1; SMN2 2624/4885TP53 4884/4885MAPT 4476/4885
US-20250263422-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR2 SMN1; SMN2 2101/4885TP53 4883/4885MAPT 3846/4885
US-20240425521-A1 SPIROMACROCYCLIC OREXIN 2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR2 SMN1; SMN2 2101/4885TP53 4883/4885MAPT 3846/4885

“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.