SCHEMBL1531949

SCHEMBL1531949

Clc1ccc(Oc2[c]cccc2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 5/20 0.47
MAPT P10636 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
LMNA P02545 3/20 0.47
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HSPA5 P11021 1/20 0.47
HPGD P15428 1/20 0.47
CBR1 P16152 1/20 0.47
TBXA2R P21731 1/20 0.47
AGTR1 P30556 1/20 0.47
SLC6A4 P31645 2/20 0.44
CHRM1 P11229 1/20 0.43
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
RHEB Q15382 1/20 0.41

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
SCHEMBL27730453 0.83 CYP3A4 (0.38) TTRMAPTSLC6A2SLC6A3LMNA
SCHEMBL1345301 0.82 HPGD (0.41) TTRSLC6A2SLC6A3LMNAHPGD
SCHEMBL16496281 0.81 AR (0.41) MAPTSLC6A2SLC6A3LMNASLC6A4
SCHEMBL4867810 0.80 FFAR1 (0.42) TTRMAPTLMNAMRGPRX4
SCHEMBL9788412 0.79 TTR (0.50) TTRMAPTSLC6A2SLC6A3LMNA
SCHEMBL6782741 0.76 TTR (0.47) TTRMAPTSLC6A2SLC6A3LMNA
SCHEMBL29436001 0.75 TTR (0.59) TTRMAPTSLC6A2SLC6A3LMNA
SCHEMBL10965997 0.75 KDM4E (0.35) MAPT
SCHEMBL7186092 0.74 TTR (0.75) TTRMAPTSLC6A2SLC6A3LMNA
SCHEMBL1532027 0.74 MAOA (0.42) MAPTSLC6A2SLC6A3LMNAPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114044754-A Preparation method of 5-trifluoromethyl-4-pyrazole derivatives and application thereof in inhibiting tumor cells 贵州大学 2022-02-15 CN claimed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP claimed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US claimed
EP-1648886-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP claimed
WO-2005014589-A1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO claimed
CN-114044754-A Preparation method of 5-trifluoromethyl-4-pyrazole derivatives and application thereof in inhibiting tumor cells 贵州大学 2022-02-15 CN disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20110053770-A1 SUBSTITUTED AMINOTHIAZOLES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-03-03 US disclosed
EP-1648886-B1 BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS ESTEVE LABOR DR (ES) 2009-12-09 EP disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
EP-1648468-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2008-09-24 EP disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
EP-0519298-A1 Radiation-sensitive sulfonic acid esters and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
EP-0519299-A1 Positive-working radiation-sensitive composition and radiation-sensitive recording material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
EP-0510442-A1 Substituted 1-sulfonyloxy-2-pyridones, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
EP-0510443-A1 Negative-working radiation-sensitive composition and radiation-sensitive recording material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
EP-0510440-A1 Positive-working radiation-sensitive composition and radiation-sensitive recording material produced therewith HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-28 EP disclosed
US-4560447-A Electrolytic process for preparation of α-alkylated acetic acid derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0024282-A1 Benzoyl derivatives, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1981-03-04 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 (4 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R TTR 3185/4885MAPT 2467/4885SLC6A2 94/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 TTR 4054/4885MAPT 4220/4885SLC6A2 121/4885
US-20110053770-A1 SUBSTITUTED AMINOTHIAZOLES AND THEIR USE AS FUNGICIDES ABAT, ALDH7A1, TH TTR 2441/4885MAPT 824/4885SLC6A2 1708/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R TTR 3185/4885MAPT 2467/4885SLC6A2 94/4885

“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.