SCHEMBL3428770

SCHEMBL3428770

O=Cc1c(Br)n(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 11/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SRC P12931 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CXCL8 P10145 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 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
SCHEMBL2348465 0.81 HTR6 (0.46) HTR6CYP1A2CYP2C19POLBSRC
SCHEMBL12093313 0.77 HTR6 (0.70) HTR6SRCALDH1A1LMNACXCL8
SCHEMBL4323653 0.74 CA12 (0.51) HTR6SRCALDH1A1MAPT
SCHEMBL4775939 0.73 HTR6 (0.51) HTR6SRCALDH1A1KDM4E
SCHEMBL4781429 0.73 HTR6 (0.51) HTR6SRCALDH1A1KDM4E
SCHEMBL13276086 0.73 KDM4E (0.58) HTR6POLBALDH1A1CXCL8NOD1
SCHEMBL2342884 0.73 HTR6 (0.52) HTR6
SCHEMBL4812274 0.73 HTT (0.60) HTR6CYP1A2CYP2C19POLBCXCL8
SCHEMBL22443301 0.72 L3MBTL1 (0.52) CYP1A2CYP2C19POLBALDH1A1LMNA
SCHEMBL8540570 0.72 HTR6 (0.55) HTR6SRCLMNAAKR1C3AKR1C1

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-7781476-B2 Serotonin and melatonergic ligands such as 10-(4-Methylpiperazin-1-ylmethyl)-5-thia-4b-aza-indeno[2,1-a]indene-5,5-dioxide, used for the treatment of psychological disorders, side effect reduction of antipsychotic drugs, neurodegenerative disorders, chemotherapy-induced vomiting and eating disorders SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-24 — — US disclosed
CN-100378109-C Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2008-04-02 — — CN disclosed
US-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LIMITED (IN) 2007-06-21 — — US disclosed
EP-1581538-B1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LTD (IN) 2007-02-28 — — EP disclosed
CN-1729197-A Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LTD (IN) 2006-02-01 — — CN disclosed
EP-1581538-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY Suven Life Sciences Limited (IN) 2005-10-05 — — EP disclosed
WO-2004055026-A1 TETRACYCLIC 3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY SUVEN LIFE SCIENCES LIMITED (IN) 2004-07-01 — — 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 (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-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity HTR3A, HTR3C, HTR3B HTR6 9/4885CYP1A2 551/4885CYP2C19 301/4885

“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.

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