SCHEMBL5918472

SCHEMBL5918472

CNS(=O)(=O)Cc1ccc2[nH]ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.55
▸ HTR1D P28221 3/20 0.49
▸ HTR1B P28222 3/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR1E P28566 1/20 0.49
▸ HTR1F P30939 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ SLC47A1 Q96FL8 1/20 0.49
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42

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
Sulfuric Acid SCHEMBL9705330 0.96 CYP19A1 (0.51) CYP19A1HTR1DHTR1BHTR1AHTR2A
SCHEMBL1275476 0.85 HDAC1 (0.48) CYP19A1HTR1DHTR1BHTR1AHTR2A
SCHEMBL8990514 0.82 EPHX2 (0.53) CYP19A1HDAC1HDAC8EPHX2PPARG
SCHEMBL9275073 0.81 CYP19A1 (0.47) CYP19A1HDAC1HDAC8EPHX2PPARG
SCHEMBL1650589 0.79 CA1 (0.51) CYP19A1HDAC1HDAC8EPHX2PPARG
SCHEMBL30155019 0.79 CA1 (0.51) CYP19A1HDAC1HDAC8EPHX2PPARG
Sulfuric Acid SCHEMBL1491064 0.75 CA1 (0.48) CYP19A1HDAC1HDAC8EPHX2PPARG
SCHEMBL10753454 0.75 NFATC1 (0.61) CYP19A1HDAC1HDAC8EPHX2PPARG
SCHEMBL1252143 0.75 KDM1A (0.50) HDAC1HDAC8CYP17A1CYP11B1CYP11B2
SCHEMBL29644286 0.75 KDM1A (0.50) HDAC1HDAC8CYP17A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076121-A1 DEUTERIUM-ENRICHED SUMATRIPTAN PROTIA, LLC (US) 2009-03-19 — — US disclosed
US-20090076121-A1 DEUTERIUM-ENRICHED SUMATRIPTAN PROTIA, LLC (US) 2009-03-19 — — US disclosed
US-20060106227-A1 3-'2-(Dimethylamino) ethyl!-n-methyl-1h-indole-5-methanesulfonamide and the succinate thereof DR REDDY'S LABORATORIES LIMITED (IN) 2006-05-18 — — US disclosed
WO-2003105836-A1 3-'2-(Dimethylamino) ethyl!-N-methyl-1H-indole-5-methanesulfonamide and the Succinate Thereof DR. REDDY'S LABORATORIES LIMITED (IN) 2003-12-24 — — WO disclosed
US-5863559-A 3-(2-(DIMETHYLAMINO)ETHYL)-N-METHYL-1H-INDOLE-5-METHANESULPHON AMIDE OR A PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF IN TABLET FORM GLAXO GROUP LIMITED (GB) 1999-01-26 — — US disclosed
US-5583149-A TREATING VASCULAR HEADACHES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 — — US disclosed
US-5468768-A FOR TREATING VASCULAR HEADACHES BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-21 — — US disclosed
EP-0666258-A1 Indolylcycloaklanylamin- und Indolylcycloalkenylamine derivatives, their preparation and their use as anti-migraine agents Bristol-Myers Squibb Company (US) 1995-08-09 — — EP disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 — — EP disclosed
EP-0462837-A2 Preparation of indole derivatives GLAXO GROUP LIMITED (GB) 1991-12-27 — — EP disclosed
US-5037845-A Analgesics; for treatment or prevention of pain due to vasodilation in the cranium GLAXO GROUP LIMITED (GB) 1991-08-06 — — 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 (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-20090076121-A1 DEUTERIUM-ENRICHED SUMATRIPTAN SLC6A4, SLC6A3, HTR3A CYP19A1 665/4885HTR1D 7/4885HTR1B 86/4885
US-20060106227-A1 3-'2-(Dimethylamino) ethyl!-n-methyl-1h-indole-5-methanesulfonamide and the succinate thereof SDHA, HTR3A, HTR5A CYP19A1 1450/4885HTR1D 13/4885HTR1B 32/4885

“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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