SCHEMBL16680232

SCHEMBL16680232

Cc1ccc(S(=O)(=O)n2cc(C(=O)CCCCl)c3cc(C#N)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
HTR6 P50406 5/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALOX5 P09917 5/20 0.41
PTGS2 P35354 1/20 0.41
ALK Q9UM73 1/20 0.38
KDM4E B2RXH2 1/20 0.37
UBE2N P61088 1/20 0.37
TNFSF11 O14788 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL30831360 1.00 KDM1A (0.47) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL28440363 0.94 KDM1A (0.48) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL27883477 0.90 HTR6 (0.53) KDM1AHTR6KCNH2TNFSF11
SCHEMBL28897411 0.89 KDM1A (0.46) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL28450726 0.86 PPARG (0.45) KDM1AHTR6KCNH2ALOX5PTGS2
SCHEMBL28436683 0.85 PTGDR2 (0.47) KDM1AHTR6MAOAMAOBKCNH2
SCHEMBL26983486 0.82 HTR6 (0.60) KDM1AHTR6ALKKDM4EUBE2N
SCHEMBL16595062 0.81 HTR6 (0.59) KDM1AHTR6ALKKDM4EUBE2N
SCHEMBL28438741 0.79 KDM1A (0.46) KDM1AHTR6KCNH2ALOX5PTGS2
SCHEMBL28436678 0.79 PTGDR2 (0.48) KDM1AHTR6MAOAMAOBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113880815-B Indole derivatives, preparation method and application thereof 中国药科大学 2024-03-29 CN disclosed
CN-113880815-A Indole derivatives and preparation method and application thereof 中国药科大学 2022-01-04 CN disclosed
CN-111533738-A Compound containing indole structure or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2020-08-14 CN disclosed
CN-111518012-A Compound containing phenylthioether structure or pharmaceutically acceptable salt thereof, preparation method and application 中国药科大学 2020-08-11 CN disclosed
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE DR. REDDY'S LABORATORIES LIMITED (IN) 2019-01-03 US disclosed
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base DR. REDDY'S LABORATORIES LIMITED (IN) 2018-07-03 US disclosed
US-20170217939-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE DR. REDDY'S LABORATORIES LIMITED (IN) 2017-08-03 US disclosed
EP-2900658-A2 PROCESSES AND POLYMORPHS OF 5-[4-[4-(5-CYANO-1H-INDOL-3-YL) BUTYL]-1-PIPERAZINYL]-2-BENZOFURAN CARBOXAMIDE AND ITS SALTS MSN Laboratories Limited (IN) 2015-08-05 EP disclosed
US-20150126525-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE REDDYS LAB LTD DR (IN) 2015-05-07 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 (4 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-20150126525-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL KDM1A 2286/4885HTR6 1873/4885MAOA 3119/4885
US-20170217939-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL KDM1A 3034/4885HTR6 2054/4885MAOA 2929/4885
US-10011590-B2 Crystalline forms of vilazodone hydrochloride and vilazodone free base VIL1, VMA21, PYGL KDM1A 3034/4885HTR6 2054/4885MAOA 2929/4885
US-20190002444-A1 CRYSTALLINE FORMS OF VILAZODONE HYDROCHLORIDE AND VILAZODONE FREE BASE VIL1, VMA21, PYGL KDM1A 3034/4885HTR6 2054/4885MAOA 2929/4885

“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.