SCHEMBL5021110

SCHEMBL5021110

CS(=O)(=O)c1ccc(N2CCNCC2)cc1NCc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.52
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
HDAC4 P56524 1/20 0.45
MEF2D Q14814 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GUSB P08236 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1748256 0.84 HTR6 (0.54) HTR6MAPTALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL1748665 0.83 HTR6 (0.53) HTR6MAPTALDH1A1HTTGAA
SCHEMBL5056172 0.81 HTR6 (0.51) HTR6MAPTALDH1A1HTTGAA
SCHEMBL3929085 0.80 HTR6 (0.64) HTR6GUSB
SCHEMBL475542 0.79 HTR6 (0.78) HTR6MAPTALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL5276936 0.79 HTR6 (0.62) HTR6GUSB
Hydrochloric Acid SCHEMBL2680318 0.78 HTR6 (0.77) HTR6MAPTALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL1748802 0.78 HTR6 (0.77) HTR6MAPTALDH1A1HTTGAA
SCHEMBL475569 0.77 HDAC4 (0.47) HTR6MAPTALDH1A1HTTGAA
Tert-Butyl Formate SCHEMBL27915001 0.77 HTR6 (0.49) HTR6MAPTALDH1A1HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT BECKER OREN (IL) 2012-05-10 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US disclosed
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 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 (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-20120115850-A1 SUBSTITUTED ARYLAMINE COMPOUNDS AND METHODS OF TREATMENT HTR6, HTR2A, HTR3B HTR6 1/4885MAPT 4350/4885ALDH1A1 1488/4885

“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.