SCHEMBL4315943

SCHEMBL4315943

O=S(=O)(c1ccc(Oc2ccccc2)cc1)n1c(N2CCNCC2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
HTR6 P50406 13/20 0.45
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
SCN4A P35499 1/20 0.42
SCN9A Q15858 1/20 0.42
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD3 P35462 2/20 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 SCHEMBL6518134 0.99 LTA4H (0.47) LTA4HHTR6PKMLMNASMN1; SMN2
SCHEMBL4304442 0.89 HTR6 (0.54) HTR6PKMHTR1ACA12CA2
Hydrochloric Acid SCHEMBL6521806 0.88 HTR6 (0.53) HTR6PKMHTR1ACA12CA2
Hydrochloric Acid SCHEMBL4316251 0.88 HTR6 (0.53) HTR6PKMHTR1ACA12CA2
SCHEMBL4311211 0.86 NOD1 (0.50) HTR6PKMKMT2ASCN4ASCN9A
Hydrochloric Acid SCHEMBL6521954 0.85 NOD1 (0.49) HTR6PKMKMT2ASCN4ASCN9A
SCHEMBL4309788 0.85 PKM (0.45) HTR6PKMLMNAKMT2ACA12
SCHEMBL4316005 0.85 MAPT (0.51) HTR6PKMHTR1AALDH1A1
SCHEMBL17422147 0.85 ALOX5 (0.52) HTR6PKMLMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6518308 0.84 HTR6 (0.44) HTR6PKMLMNAKMT2ACA12

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-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US claimed
US-7524839-B2 Compounds, their use and preparation BIOVITRUM AM (PUBL.) 2009-04-28 US disclosed
US-7087750-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2006-08-08 US disclosed
US-20050256106-A1 Novel compounds, their use and preparation BIOVITRUM AB, A STOCKHOLM, SWEDEN CORPORATION 2005-11-17 US disclosed
EP-1326830-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2003-07-16 EP disclosed
US-20020165251-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2002-11-07 US disclosed
WO-2002032863-A1 2-, 3-, 4-, OR 5-SUBSTITUTED-N1-(BENZENSULFONYL)INDOLES AND THEIR USE IN THERAPY BIOVITRUM AB (SE) 2002-04-25 WO 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-20020165251-A1 Novel compounds, their use and preparation HTR6, HTR1A, HTR5A LTA4H 1194/4885HTR6 1/4885PKM 3560/4885
US-20050256106-A1 Novel compounds, their use and preparation HTR6, HTR3C, HTR1A LTA4H 1220/4885HTR6 1/4885PKM 3206/4885

“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.