SCHEMBL1382359

SCHEMBL1382359

CN1CCN(c2nc(NS(=O)(=O)c3ccc(Cl)s3)cc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MCOLN3 Q8TDD5 2/20 0.44
KMT2A Q03164 3/20 0.42
HTR6 P50406 3/20 0.42
HTR3A P46098 3/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
CRHR2 Q13324 1/20 0.42
NFKBIA P25963 2/20 0.41
RELA Q04206 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
CCR5 P51681 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
Hydrochloric Acid SCHEMBL6047110 0.99 ALDH1A1 (0.48) ALDH1A1MAPTTDP1MCOLN3KMT2A
SCHEMBL1379758 0.85 HTR6 (0.44) ALDH1A1TDP1HTR6HTR3AHTR3E
SCHEMBL1381190 0.82 HTR3A (0.51) ALDH1A1HTR6HTR3AHTR3EHTR3B
SCHEMBL1379933 0.80 SCN9A (0.47) ALDH1A1KMT2AHTR6HTR3AHTR3E
SCHEMBL3623707 0.79 HTR6 (0.46) ALDH1A1HTR6HTR3AHTR3EHTR3B
SCHEMBL1380690 0.79 GBA1 (0.51) ALDH1A1MAPTKMT2AHTR6HTR3A
SCHEMBL3626281 0.79 HSD11B1 (0.50) ALDH1A1HTR6HTR3AHTR3EHTR3B
SCHEMBL1379611 0.78 HTR6 (0.57) HTR6HTR3ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1380788 0.78 HSD11B1 (0.49) ALDH1A1HTR6HTR3AHTR3EHTR3B
SCHEMBL1379060 0.78 HTR6 (0.47) ALDH1A1MAPTKMT2AHTR6HTR3A

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 2 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

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-20070066599-A1 New compounds SULT2A1, GPR119, STS ALDH1A1 363/4885MAPT 3274/4885TDP1 4016/4885

“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.