SCHEMBL2120900

SCHEMBL2120900

O/N=C(\Cl)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 1/20 0.56
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
GAA P10253 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 4/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 3/20 0.37
PTPN1 P18031 1/20 0.37
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
TYMP P19971 2/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL2119207 1.00 ALDH1A1 (0.56) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL3841277 1.00 ALDH1A1 (0.56) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL2930860 0.83 CES2 (0.52) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL2931002 0.83 CES2 (0.52) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL31751085 0.83 CES2 (0.52) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL20148148 0.83 CES2 (0.52) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL6697661 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL6701868 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15CES2CES1TYMP
SCHEMBL27894187 0.77 CES2 (0.48) ALDH1A1ALOX15CES2CES1GAA
SCHEMBL17842362 0.76 CES2 (0.52) ALDH1A1ALOX15CES2CES1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CYSTIC FIBROSIS FOUNDATION (US) 2026-04-28 US disclosed
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
EP-4139287-B1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AG (DE) 2025-02-26 EP disclosed
EP-4424311-A2 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS Cystic Fibrosis Foundation (US) 2024-09-04 EP disclosed
EP-4384013-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2024-06-19 EP disclosed
EP-3541390-B1 PYRROLOPYRIMIDINES AS CFTR POTENTIATORS CYSTIC FIBROSIS FOUND (US) 2024-05-01 EP disclosed
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CYSTIC FIBROSIS FOUNDATION THERAPEUTICS INC. 2023-08-10 US disclosed
US-20230167103-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2023-06-01 US disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
US-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives HOFFMANN-LA ROCHE INC. 2007-07-12 US disclosed
WO-2007074078-A2 ARYL-ISOXAZOL-4-YL-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-07-05 WO disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US disclosed
US-5256672-A Antipsychotic, analgesic HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-10-26 US disclosed
US-5180834-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-19 US disclosed
US-5114936-A Antipsychotic and analgesic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-19 US disclosed
EP-0474012-A1 6,7-Dihydro-3-phenyl-1,2-benzisoxazol-4(5H)-ones and -ols, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-03-11 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 (7 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-20070161654-A1 Aryl-isoxazol-4-yl-imidazole derivatives GABRA5, GABRA4, GABRA1 ALDH1A1 252/4885ALOX15 1932/4885CES2 3179/4885
US-20230167103-A1 SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION DGKZ, DGKA, DGKG ALDH1A1 3965/4885ALOX15 1365/4885CES2 3474/4885
US-20230250100-A1 Pyrrolopyrimidines as CFTR Potentiators CFTR, P2RX1, P2RX5 ALDH1A1 3071/4885ALOX15 1978/4885CES2 4310/4885
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP ALDH1A1 4261/4885ALOX15 2600/4885CES2 4767/4885
US-12612409-B2 Pyrrolopyrimidines as CFTR potentiators CFTR, CLCN2, SLC26A3 ALDH1A1 3115/4885ALOX15 1006/4885CES2 3844/4885
US-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 ALDH1A1 435/4885ALOX15 974/4885CES2 2382/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR ALDH1A1 1133/4885ALOX15 4024/4885CES2 4662/4885

“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.