SCHEMBL171829

SCHEMBL171829

CN(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 1/20 0.48
IDH2 P48735 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
CETP P11597 1/20 0.44
CES2 O00748 1/20 0.44
MGLL Q99685 1/20 0.44
GAA P10253 1/20 0.44
EGFR P00533 2/20 0.43
CSF1R P07333 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
KDM1A O60341 2/20 0.42
NFE2L2 Q16236 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
SCHEMBL30901511 1.00 TSHR (0.48) TSHRALDH1A1MAPK1IDH2MEN1
Hydrochloric Acid SCHEMBL2190046 0.98 TSHR (0.47) TSHRALDH1A1MAPK1IDH2MEN1
SCHEMBL27745521 0.83 TSHR (0.45) TSHRALDH1A1MAPK1IDH2MEN1
SCHEMBL7592350 0.82 TSHR (0.52) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL17036644 0.82 TSHR (0.44) TSHRALDH1A1MAPK1IDH2MEN1
SCHEMBL13367373 0.82 TSHR (0.48) TSHRALDH1A1MAPK1IDH2MEN1
Hydrochloric Acid SCHEMBL11161925 0.82 TSHR (0.48) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL4617153 0.80 CETP (0.43) TSHRALDH1A1MAPK1MEN1KMT2A
SCHEMBL8979325 0.80 MEN1 (0.45) TSHRALDH1A1MAPK1IDH2MEN1
SCHEMBL15013852 0.80 HTR2A (0.46) TSHRALDH1A1MAPK1IDH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717457-A1 PROCESS FOR PREPARATION OF ENZALUTAMIDE USING NOVEL INTERMEDIATE Aarti Industries Limited (IN) 2020-10-07 EP claimed
EP-0853764-A1 COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY ARQULE, INC. (US) 1998-07-22 EP claimed
WO-1996035953-A1 COMBINATORIAL SYNTHESIS AND HIGH-THROUGHPUT SCREENING OF A REV-INHIBITING ARYLIDENEDIAMIDE ARRAY ARQULE, INC. (US) 1996-11-14 WO claimed
US-20250162992-A1 METHOD FOR PRODUCING AMIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-05-22 US disclosed
EP-4461724-A1 METHOD FOR PRODUCING AMIDE COMPOUND CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-11-13 EP disclosed
CN-118510751-A Method for producing amide compound 中外制药株式会社 2024-08-16 CN disclosed
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 EP disclosed
WO-2023188949-A1 SECONDARY BATTERY ELECTROLYTE AND SECONDARY BATTERY 株式会社村田製作所 2023-10-05 WO disclosed
WO-2023132352-A1 METHOD FOR PRODUCING AMIDE COMPOUND 中外製薬株式会社 2023-07-13 WO disclosed
WO-2023116774-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE 赛诺哈勃药业(成都)有限公司 2023-06-29 WO disclosed
EP-3717457-B1 PROCESS FOR PREPARATION OF ENZALUTAMIDE USING NOVEL INTERMEDIATE AARTI INDUSTRIES LTD (IN) 2023-06-21 EP disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
CN-100334064-C Preparation method of N-alkylbenzene derivative DALIAN LUYUAN PHARMACEUTICAL C (CN) 2007-08-29 CN disclosed
EP-1818340-A1 GLYCOPEPTIDE ANTIBIOTIC MONOMER DERIVATIVES National University Corporation Nagoya University (JP) 2007-08-15 EP disclosed
CN-1824644-A Preparation method of N-alkylbenzene derivative DALIAN LUYUAN PHARMACEUTICAL C (CN) 2006-08-30 CN disclosed
EP-0491326-A2 Process for the functionalization of trifluoromethylbenzenes ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1992-06-24 EP disclosed
US-5051330-A For image development EASTMAN KODAK COMPANY (US) 1991-09-24 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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-20250162992-A1 METHOD FOR PRODUCING AMIDE COMPOUND NAAA, NCAPH, NCAPD2 TSHR 3232/4885ALDH1A1 1740/4885MAPK1 4021/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 TSHR 468/4885ALDH1A1 2815/4885MAPK1 1243/4885

“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.