SCHEMBL1747996

SCHEMBL1747996

COc1cc(C(C)Nc2cc(N3CCNCC3)ccc2S(C)(=O)=O)cc(Cl)c1OC

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.75
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALK Q9UM73 3/20 0.42
EGFR P00533 2/20 0.40
TGFBR1 P36897 3/20 0.39
ACVR1 Q04771 3/20 0.39
ACVR1B P36896 2/20 0.39
KCNH2 Q12809 1/20 0.39
GUSB P08236 1/20 0.38
RIPK2 O43353 1/20 0.37
NOD2 Q9HC29 1/20 0.37

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
SCHEMBL1748904 0.85 HTR6 (1.00) HTR6HPGDSMN1; SMN2ALKEGFR
SCHEMBL475397 0.85 HTR6 (1.00) HTR6HPGDSMN1; SMN2ALKEGFR
SCHEMBL1748316 0.85 HTR6 (1.00) HTR6HPGDSMN1; SMN2ALKEGFR
Hydrochloric Acid SCHEMBL475692 0.85 HTR6 (0.98) HTR6HPGDSMN1; SMN2ALKEGFR
Hydrochloric Acid SCHEMBL1748258 0.85 HTR6 (0.98) HTR6HPGDSMN1; SMN2ALKEGFR
Hydrochloric Acid SCHEMBL1748380 0.85 HTR6 (0.98) HTR6HPGDSMN1; SMN2ALKEGFR
Hydrochloric Acid SCHEMBL29391202 0.85 HTR6 (0.98) HTR6HPGDSMN1; SMN2ALKEGFR
SCHEMBL1748852 0.84 HTR6 (0.64) HTR6HPGDSMN1; SMN2ALKTGFBR1
SCHEMBL1747990 0.83 HTR6 (0.68) HTR6HPGDSMN1; SMN2
SCHEMBL1748556 0.83 HTR6 (0.69) HTR6HPGDSMN1; SMN2ALKACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968538-B2 Substituted arylamine compounds and methods of treatment GALENEA CORP. (US) 2011-06-28 US claimed
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 1/4885HPGD 2326/4885SMN1; SMN2 3858/4885

“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.