SCHEMBL3622756

SCHEMBL3622756

CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3ccccc3c(N3CCN(C)CC3)n2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
APAF1 O14727 1/20 0.43
MITF O75030 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
RAD52 P43351 1/20 0.42
HTR6 P50406 3/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.41
CCR8 P51685 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PIK3C2B O00750 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
Hydrochloric Acid SCHEMBL3622361 0.99 KMT2A (0.44) KMT2ACA1CA2CA9APAF1
Hydrochloric Acid SCHEMBL1376785 0.99 KMT2A (0.44) KMT2ACA1CA2CA9APAF1
SCHEMBL1379933 0.87 SCN9A (0.47) KMT2ARAD52HTR6HTR1AHTR2A
SCHEMBL1381190 0.80 HTR3A (0.51) APAF1MITFHTR6HTR1AHTR2A
SCHEMBL1380690 0.80 GBA1 (0.51) KMT2AAPAF1MITFRAD52HTR6
SCHEMBL1379060 0.79 HTR6 (0.47) KMT2ARAD52HTR6TSHRHTR1A
SCHEMBL3615298 0.78 MEN1 (0.52) KMT2ACA9HTR6HTR1AHTR2A
SCHEMBL1378323 0.76 ALDH1A1 (0.49) RAD52HTR6TSHRHTR1AHTR2A
SCHEMBL4314518 0.76 RAD52 (0.52) KMT2ACA1CA2CA9APAF1
SCHEMBL1378481 0.76 KEAP1 (0.51) HTR6TSHRHTR1AHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 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 (5 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 KMT2A 2359/4885CA1 1515/4885CA2 1376/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 KMT2A 1776/4885CA1 861/4885CA2 859/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 KMT2A 1435/4885CA1 2842/4885CA2 2042/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KMT2A 1776/4885CA1 861/4885CA2 859/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS KMT2A 2359/4885CA1 1515/4885CA2 1376/4885

“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.