SCHEMBL4872025

SCHEMBL4872025

O=c1c2ccccc2nnn1CCCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.49
GPR139 Q6DWJ6 4/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL10919578 0.76 KMT2A (0.82) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5816179 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL29201430 0.74 ALDH1A1 (0.82) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL17950740 0.74 MEN1 (0.68) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL4872274 0.74 KMT2A (0.68) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL6955912 0.73 KMT2A (0.54) KMT2AMEN1ALDH1A1GPR139GAA
SCHEMBL6956586 0.73 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1GPR139GAA
SCHEMBL4873292 0.73 KMT2A (1.00) KMT2AMEN1ALDH1A1HTTL3MBTL1
SCHEMBL874199 0.73 KDM4E (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6948981 0.73 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1GPR139GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332506-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2008-02-19 US disclosed
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2007-03-01 US disclosed
US-7148235-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2006-12-12 US disclosed
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-10-27 US disclosed
US-6939870-B2 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH (US) 2005-09-06 US disclosed
US-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression WYETH 2004-10-14 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 (3 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-20040204402-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A KMT2A 1643/4885MEN1 2425/4885ALDH1A1 420/4885
US-20050239775-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A KMT2A 2004/4885MEN1 2201/4885ALDH1A1 695/4885
US-20070049582-A1 Substituted-3-indolyl-4-piperidino-alkyl heterocycles for the treatment of depression TPH1, TPH2, HTR1A KMT2A 2004/4885MEN1 2201/4885ALDH1A1 695/4885

“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.