SCHEMBL6981817

SCHEMBL6981817

COc1ccc(N)cc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTR1A P08908 6/20 0.43
HTR1D P28221 6/20 0.43
HTR1B P28222 6/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR6 P50406 3/20 0.43
HTR7 P34969 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
TACR3 P29371 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
SCHEMBL1611981 0.82 NR1H2 (0.52) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
Tert-Butanol SCHEMBL5827581 0.82 ALDH1A1 (0.44) CYP2C9HDAC1HDAC6ALDH1A1LMNA
SCHEMBL30091195 0.81 HTR6 (0.45) CYP2C9HDAC1HDAC6ALDH1A1LMNA
SCHEMBL6190217 0.81 HTR6 (0.45) CYP2C9HDAC1HDAC6ALDH1A1LMNA
SCHEMBL6184895 0.81 AKR1C3 (0.61) CYP2C9ALDH1A1LMNAAKR1C3SMN1; SMN2
SCHEMBL6969829 0.81 ALDH1A1 (0.55) ALDH1A1LMNAMAPTHTR6SMN1; SMN2
SCHEMBL28920432 0.80 HTR6 (0.49) HTR1AHTR2CHTR6HTR7
SCHEMBL6980847 0.80 TP53 (0.53) ALDH1A1LMNAKDM4EMAPTMEN1
Methylene Chloride SCHEMBL6189715 0.79 HTR6 (0.43) CYP2C9HDAC1HDAC6ALDH1A1LMNA
SCHEMBL6975327 0.79 MEN1 (0.62) ALDH1A1LMNAKDM4EMAPTHTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP disclosed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 US disclosed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 EP disclosed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 WO 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 (1 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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS CYP2C9 200/4885HDAC1 1285/4885HDAC6 190/4885

“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.