SCHEMBL1379758

SCHEMBL1379758

CN1CCN(c2nc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.44
APP P05067 1/20 0.43
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
CDK6 Q00534 1/20 0.41
HTR3A P46098 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 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
SCHEMBL1382359 0.85 ALDH1A1 (0.49) HTR6HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL6047110 0.84 ALDH1A1 (0.48) HTR6HTR3AHTR3EHTR3BHTR3D
SCHEMBL3623707 0.82 HTR6 (0.46) HTR6HTR3AHTR3EHTR3BHTR3D
SCHEMBL3626281 0.82 HSD11B1 (0.50) HTR6HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1380936 0.81 HTR6 (0.45) HTR6HTR3AHTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1380788 0.81 HSD11B1 (0.49) HTR6HTR3AHTR3EHTR3BHTR3D
SCHEMBL1381190 0.81 HTR3A (0.51) HTR6HTR3AHTR3EHTR3BHTR3D
SCHEMBL1379933 0.80 SCN9A (0.47) HTR6HTR3AHTR3EHTR3BHTR3D
SCHEMBL1379060 0.79 HTR6 (0.47) HTR6HTR3AHTR3EHTR3BHTR3D
SCHEMBL1380961 0.79 PIK3CA (0.48) HTR6HTR3AHTR3EHTR3BHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 2011-07-20 JP claimed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 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 (2 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-20070066599-A1 New compounds SULT2A1, GPR119, STS HTR6 1659/4885APP 1804/4885CDK1 3621/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HTR6 1659/4885APP 1804/4885CDK1 3621/4885

“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.