SCHEMBL116298

SCHEMBL116298

CNc1ccc(C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
GAA P10253 4/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
XPO1 O14980 1/20 0.49
NPC1 O15118 4/20 0.49
PTGS1 P23219 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GFER P55789 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
HCAR3 P49019 1/20 0.44
KIF11 P52732 1/20 0.44
RPS6KA3 P51812 1/20 0.43
NNMT P40261 1/20 0.43

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
SCHEMBL30826962 1.00 RAB9A (0.49) RAB9AGAAALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL28506287 0.98 RAB9A (0.48) RAB9AGAAALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL28538817 0.98 RAB9A (0.48) RAB9AGAAALDH1A1POLBLMNA
SCHEMBL15426484 0.86 HCAR3 (0.43) RAB9AGAAALDH1A1POLBLMNA
SCHEMBL6941957 0.84 GAA (0.54) RAB9AGAAALDH1A1POLBLMNA
SCHEMBL9952142 0.84 HCAR3 (0.42) RAB9AGAAALDH1A1POLBLMNA
SCHEMBL8989471 0.83 RAB9A (0.51) RAB9AGAAALDH1A1POLBLMNA
SCHEMBL21017072 0.82 NNMT (0.46) RAB9AGAAALDH1A1POLBLMNA
SCHEMBL12019745 0.81 HCAR3 (0.46) RAB9AGAAALDH1A1LMNANPC1
SCHEMBL17226851 0.80 RAB9A (0.47) RAB9AGAAALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181116-B Fused ring compound with sulfur-containing substituent, preparation method, pesticide composition and application 江苏中旗科技股份有限公司 2024-11-26 CN disclosed
CN-112105419-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-29 CN disclosed
WO-2024022362-A1 FUSED RING COMPOUND WITH SULFUR-CONTAINING SUBSTITUENT, PREPARATION METHOD, INSECTICIDE COMPOSITION, AND USE 江苏中旗科技股份有限公司 2024-02-01 WO disclosed
CN-112204006-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-11-28 CN disclosed
CN-116209658-A Inhibitors of RHO-associated coiled coil kinase 安吉昂生物医药公司 2023-06-02 CN disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
EP-4108663-A1 SUBSTITUTED ARYL COMPOUND Simcere Pharmaceutical Co., Ltd. (CN) 2022-12-28 EP disclosed
CN-115181116-A Fused ring compound with sulfur-containing substituent, preparation method, pesticide composition and application 江苏中旗科技股份有限公司 2022-10-14 CN disclosed
EP-3070076-B1 AMIDE COMPOUNDS OR SALTS THEREOF, AND THEIR USE AS AGRICULTURAL AND HORTICULTURAL MICROBICIDES NIHON NOHYAKU CO LTD (JP) 2022-01-05 EP disclosed
EP-3070076-B1 AMIDE COMPOUNDS OR SALTS THEREOF, AND THEIR USE AS AGRICULTURAL AND HORTICULTURAL MICROBICIDES NIHON NOHYAKU CO LTD (JP) 2022-01-05 EP disclosed
US-7368479-B2 Alpha-sulfonylamino-acetonitriles SYNGENTA CROP PROTECTION, INC. (US) 2008-05-06 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7304059-B2 Substituted quinazolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2007-12-04 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed
CN-1863777-A Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2006-11-15 CN disclosed
EP-0012435-A2 Isoxazole derivatives, process for their preparation, medicines containing them and intermediates required in this process HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 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 (3 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-20080015183-A1 SUBSTITUTED QUINAZOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR88 RAB9A 923/4885GAA 1024/4885ALDH1A1 2125/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 RAB9A 1360/4885GAA 322/4885ALDH1A1 1195/4885
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 RAB9A 3752/4885GAA 492/4885ALDH1A1 148/4885

“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.