SCHEMBL3397694

SCHEMBL3397694

Cc1cccc(S(N)(=O)=O)c1N1CCNCC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.43
HTR2B P41595 14/20 0.43
HTR2A P28223 10/20 0.40
HTR6 P50406 1/20 0.40
CYP2D6 P10635 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3397701 0.84 HTR2C (0.40) HTR2CHTR2BHTR2AHTR6CYP2D6
Hydrochloric Acid SCHEMBL27828365 0.70 HTR2C (0.42) HTR2CHTR2BHTR2AHTR6
SCHEMBL4710814 0.70 ALDH1A1 (0.41) HTR2CHTR2BHTR2ACYP2D6SLC6A2
SCHEMBL13699524 0.69 SLC6A2 (0.59) HTR2CHTR2BHTR2ACYP2D6SLC6A2
SCHEMBL164537 0.69 SLC6A2 (0.59) HTR2CHTR2BHTR2ACYP2D6SLC6A2
Hydrochloric Acid SCHEMBL28210755 0.69 KMT2A (0.41) HTR2CHTR2BHTR2ACYP2D6SLC6A2
SCHEMBL28597186 0.69 SLC6A2 (0.50) HTR2CHTR2BHTR2AHTR6CYP2D6
Methyl Alcohol SCHEMBL28137463 0.69 SLC6A2 (0.55) HTR2CHTR2BHTR2ACYP2D6SLC6A2
SCHEMBL22489561 0.68 HTR2C (0.41) HTR2CHTR6CYP2D6
SCHEMBL5894706 0.68 SLC6A2 (0.58) HTR2CHTR2BHTR2ACYP2D6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A HTR2C 19/4885HTR2B 15/4885HTR2A 10/4885

“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.