SCHEMBL529908

SCHEMBL529908

Cc1ccc(Cl)c(O)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DPP4 P27487 1/20 0.37
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
P2RX7 Q99572 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA2A P08913 1/20 0.33
CLCN2 P51788 1/20 0.33
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL27375821 0.81 ALDH1A1 (0.40) HTR2BHTR2AHTR2CDPP4ALDH1A1
SCHEMBL17696931 0.79 DPP4 (0.42) DPP4MEP1AMEP1BALDH1A1CYP3A4
SCHEMBL15172767 0.79 ALDH1A1 (0.48) ALDH1A1CYP3A4HSD17B10MAPK1ALOX15
SCHEMBL6841578 0.77 ALDH1A1 (0.46) HTR2BDPP4ALDH1A1CYP3A4HSD17B10
SCHEMBL10595962 0.77 HTR2A (0.42) HTR2BHTR2AHTR2CCYP3A4SMN1; SMN2
SCHEMBL1009105 0.75 ALDH1A1 (0.38) MEP1AMEP1BALDH1A1HSD17B10HPGD
SCHEMBL2659542 0.75 TRPA1 (0.44) ALDH1A1CYP3A4ADRA2AHSD17B10MAPK1
SCHEMBL8249512 0.75 HTR2A (0.41) HTR2BHTR2AHTR2CALDH1A1CYP3A4
SCHEMBL3342311 0.75 HTR2A (0.44) HTR2BHTR2AHTR2CALDH1A1CYP3A4
SCHEMBL3109271 0.75 CYP3A4 (0.46) DPP4MEP1AMEP1BALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-9663508-B2 Biaryl acyl-sulfonamide compounds as sodium channel inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
US-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors One Amgen Center Drive (US) 2016-07-28 US disclosed
EP-1608633-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
EP-1608633-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
EP-2155692-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-06-17 EP disclosed
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION ASTEX THERAPEUTICS LIMITED (GB) 2014-09-25 US disclosed
EP-2773613-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
CN-1759104-A Non-nucleoside reverse transcriptase inhibitors I for the treatment of HIV mediated diseases HOFFMANN LA ROCHE (CH) 2006-04-12 CN disclosed
WO-2006021401-A2 BICYLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
EP-1608633-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. Hoffmann-La Roche AG (CH) 2005-12-28 EP disclosed
EP-1608629-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-28 EP disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085411-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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 (5 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-20160214971-A1 Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors SCN1A, SCN1B, SCN5A HTR2B 1177/4885HTR2A 1756/4885HTR2C 1174/4885
US-20140288040-A1 SUBSTITUTED BENZYLAMINE COMPOUNDS, THEIR USE IN MEDICINE, AND IN PARTICULAR THE TREATMENT OF HEPATITIS C VIRUS (HCV) INFECTION NR1H4, CFH, SLC10A1 HTR2B 1481/4885HTR2A 1299/4885HTR2C 514/4885
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLA1, REV1 HTR2B 3819/4885HTR2A 4002/4885HTR2C 3530/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA HTR2B 4368/4885HTR2A 4582/4885HTR2C 4462/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E HTR2B 3713/4885HTR2A 3525/4885HTR2C 3411/4885

“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.