SCHEMBL7052356

SCHEMBL7052356

Cn1cc(C(F)(F)F)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
BACE1 P56817 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35

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
Hydrochloric Acid SCHEMBL25410283 0.98 GSK3A (0.39) GSK3AGSK3BKMT2AHTTL3MBTL1
SCHEMBL23181019 0.85 BRD4 (0.34) GSK3AGSK3BL3MBTL1LMNA
SCHEMBL783280 0.80 CCR9 (0.39) L3MBTL1ALDH1A1LMNANPC1RAB9A
SCHEMBL17420468 0.79 DPP4 (0.41) KMT2AHTTKDM4EALDH1A1MAPT
SCHEMBL2614384 0.75 HTT (0.52) KMT2AHTTL3MBTL1TDP1KDM4E
SCHEMBL7161255 0.74 CA2 (0.38) GSK3AGSK3BTDP1KDM4EALDH1A1
SCHEMBL7052353 0.74 L3MBTL1 (0.38) KMT2AHTTL3MBTL1TDP1KDM4E
SCHEMBL1000302 0.74 TYR (0.45) KMT2AHTTL3MBTL1TDP1KDM4E
SCHEMBL21483640 0.74 P2RX3 (0.39) KMT2AHTTL3MBTL1TDP1KDM4E
SCHEMBL12333052 0.72 GSK3A (0.42) GSK3AGSK3BL3MBTL1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP claimed
US-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US claimed
JP-2000510870-A 2000-08-22 JP claimed
US-5939462-A ADMINISTERING ALKOXY AND -THIOALKOXYAMIDE COMPOSITIONS TO MAMMALS TO TREAT DISORDERS SUCH AS OBESITY THAT ARE MEDIATED BY NEUROPEPTIDE Y (?NPY?) BAYER CORPORATION (US) 1999-08-17 US claimed
EP-0927166-A1 AMIDES AS NPY5 RECEPTOR ANTAGONISTS Bayer Corporation (US) 1999-07-07 EP claimed
WO-1998035944-A1 AMIDES AS NPY5 RECEPTOR ANTAGONISTS BAYER CORPORATION (US) 1998-08-20 WO claimed
US-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists CORCEPT THERAPEUTICS INCORPORATED (US) 2023-10-17 US disclosed
WO-2023105303-A1 COMPOUNDS FOR THE TREATMENT OF CANCER KASHIV BIOSCIENCES, LLC (US) 2023-06-15 WO disclosed
US-20230146125-A1 FORMS AND COMPOSITIONS OF INHIBITORS OF JAK2 AJAX THERAPEUTICS, INC. 2023-05-11 US disclosed
US-20230032612-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-02-02 US disclosed
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME NIHON NOHYAKU CO., LTD. (JP) 2022-12-08 US disclosed
US-20220313672-A1 A PHARMACEUTICAL COMPOSITION OF S1PR MODULATORS UNIVERSITA DEGLI STUDI DI FIRENZE (IT) 2022-10-06 US disclosed
WO-2021262587-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED (US) 2021-12-30 WO disclosed
US-6495125-B2 MAY BE USED IN HAIR CARE, TEXTILE CARE, COSMETICS, ORAL CARE FORMULATIONS, SKIN, NAIL, LAUNDRY, ACNE CARE FORMULATIONS THE PROCTER & GAMBLE COMPANY 2002-12-17 US disclosed
US-20020012639-A1 May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations PROCTER & GAMBLE COMPANY, THE 2002-01-31 US disclosed
US-6245817-B1 NEUROPEPTIDE Y BAYER CORPORATION 2001-06-12 US disclosed
US-5939462-A ADMINISTERING ALKOXY AND -THIOALKOXYAMIDE COMPOSITIONS TO MAMMALS TO TREAT DISORDERS SUCH AS OBESITY THAT ARE MEDIATED BY NEUROPEPTIDE Y (?NPY?) BAYER CORPORATION (US) 1999-08-17 US disclosed
EP-0927166-A1 AMIDES AS NPY5 RECEPTOR ANTAGONISTS Bayer Corporation (US) 1999-07-07 EP disclosed
WO-1998035944-A1 AMIDES AS NPY5 RECEPTOR ANTAGONISTS BAYER CORPORATION (US) 1998-08-20 WO disclosed
CN-1034715-A N-cyanogen methyl-2-pyridinone insecticides DOW CHEMICAL CO (US) 1989-08-16 CN 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-11787780-B2 Quaternary indazole glucocorticoid receptor antagonists NR3C1, NR3C2, MC2R GSK3A 1229/4885GSK3B 1023/4885KMT2A 3581/4885
US-20230032612-A1 QUATERNARY INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R GSK3A 1229/4885GSK3B 1023/4885KMT2A 3581/4885
US-20220386614-A1 OXADIAZOLINE COMPOUND OR SALTS THEREOF, AGRICULTURAL AND HORTICULTURAL BACTERICIDE CONTAINING SAID COMPOUND, AND METHOD FOR USING SAME BROX, CYP51A1, TBCD GSK3A 1545/4885GSK3B 1309/4885KMT2A 2894/4885
US-20220313672-A1 A PHARMACEUTICAL COMPOSITION OF S1PR MODULATORS S1PR1, S1PR2, S1PR3 GSK3A 1109/4885GSK3B 1010/4885KMT2A 4291/4885
US-20020012639-A1 May be used in hair care, textile care, cosmetics, oral care formulations, skin, nail, laundry, acne care formulations SCLY, TST, SRR GSK3A 3091/4885GSK3B 2720/4885KMT2A 4181/4885
US-20230146125-A1 FORMS AND COMPOSITIONS OF INHIBITORS OF JAK2 JAK2, JAK1, JAK3 GSK3A 1150/4885GSK3B 973/4885KMT2A 1636/4885

“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.