SCHEMBL165877

SCHEMBL165877

N#Cc1cc(C(F)(F)F)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
AR P10275 5/20 0.43
KIF11 P52732 3/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29646422 1.00 ALOX5AP (0.44) ALOX5APFEN1ARKIF11ALDH1A1
SCHEMBL2167740 0.85 KIF11 (0.57) ALOX5APFEN1ARKIF11ALDH1A1
SCHEMBL463600 0.84 AR (0.47) ALOX5APFEN1ARKIF11ALDH1A1
SCHEMBL11592825 0.82 CYP1A2 (0.36) ALOX5APFEN1ARKIF11ALDH1A1
SCHEMBL3583832 0.81 KDM4E (0.49) ARKIF11ALDH1A1KDM4ETSHR
SCHEMBL29938879 0.81 AR (0.49) ARKIF11MAPTL3MBTL1
SCHEMBL29546917 0.81 AR (0.52) ARKIF11PTPN1PTPN6PTPN11
SCHEMBL12151755 0.81 AR (0.52) ARKIF11PTPN1PTPN6PTPN11
SCHEMBL2432042 0.80 ALDH1A1 (0.42) KIF11ALDH1A1KDM4EHSD17B10PKM
SCHEMBL165967 0.80 ALDH1A1 (0.47) ARKIF11ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108640919-B Matrine derivative and sophoridine derivative containing aryl amidine or aminoquinoline structure and preparation method thereof 广西大学 2020-09-08 CN claimed
US-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2025-05-29 US disclosed
US-12258354-B2 AhR modulators IDEAYA BIOSCIENCES, INC. (US) 2025-03-25 US disclosed
EP-3749669-B3 AHR MODULATORS IDEAYA BIOSCIENCES INC (US) 2024-09-04 EP disclosed
CN-118496491-A Amino acid derived mimic enzyme organic catalyst and application thereof 青岛科技大学 2024-08-16 CN disclosed
CN-118373980-A Preparation method and application of polyether guanidine compound 青岛科技大学 2024-07-23 CN disclosed
WO-2024126619-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING A COMPOUND OF FORMULA (I) AND A COMPOUND OF FORMULA (II), AND DISPLAY DEVICE COMPRISING THE ORGANIC ELECTROLUMINESCENT DEVICE NOVALED GMBH (DE) 2024-06-20 WO disclosed
EP-4385985-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-19 EP disclosed
CN-111683950-B AhR modulators 伊迪亚生物科学有限公司 2024-04-16 CN disclosed
WO-2024061807-A1 ORGANIC ELECTRONIC DEVICE COMPRISING A CHARGE GENERATION LAYER NOVALED GMBH (DE) 2024-03-28 WO disclosed
US-6175041-B1 HYDROGENATING A TRIFLUOROMETHYLBENZONITRILE WITH HYDROGEN IN AN ORGANIC SOLVENT IN THE PRESENCE OF AMMONIA, USING A RANEY CATALYST CENTRAL GLASS COMPANY, LIMITED (JP) 2001-01-16 US disclosed
WO-2000029398-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2000-05-25 WO disclosed
US-5109004-A Cyano phenyl-substituted with heterocylic compound; insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-28 US disclosed
US-5079251-A Insecticides, pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
EP-0408196-A2 Pyrazinone derivatives as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-16 EP disclosed
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP disclosed
US-4293566-A FUNGICIDES, BACTERICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US disclosed
US-4183949-A Pesticidally active 1-arylamino-2,4-dinitronaphthalenes BAYER AKTIENGESELLSCHAFT (DE) 1980-01-15 US disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed
US-3976633-A ANORECTIC, ANTIOBESITY SMITHKLINE CORPORATION (US) 1976-08-24 US 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-12258354-B2 AhR modulators AHR, ARNT, RORB ALOX5AP 1111/4885FEN1 4852/4885AR 77/4885
US-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, BCKDK, CYP11B2 ALOX5AP 2578/4885FEN1 4870/4885AR 1/4885

“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.