SCHEMBL3534612

SCHEMBL3534612

O=C(c1ccc2c(c1)cc(C(=O)N1CCS(=O)(=O)CC1)n2-c1cccc(F)c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
HRH3 Q9Y5N1 3/20 0.50
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MGLL Q99685 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3538813 0.98 HRH3 (0.52) HTTHRH3USP2TDP1KCNH2
SCHEMBL27739845 0.93 HTT (0.54) HTTHRH3USP2TDP1KCNH2
SCHEMBL27760290 0.91 HRH3 (0.52) HTTHRH3USP2TDP1KCNH2
SCHEMBL3539331 0.90 L3MBTL1 (0.55) HTTHRH3KCNH2KDM4EALDH1A1
SCHEMBL3540283 0.90 HRH3 (0.52) HTTHRH3KDM4EALDH1A1L3MBTL1
SCHEMBL3539675 0.90 HRH3 (0.48) HTTHRH3KDM4EALDH1A1L3MBTL1
SCHEMBL3540974 0.89 HRH3 (0.52) HTTHRH3KDM4EALDH1A1L3MBTL1
SCHEMBL3539360 0.89 L3MBTL1 (0.52) HRH3KCNH2KDM4EALDH1A1L3MBTL1
SCHEMBL3541059 0.88 HTT (0.54) HTTHRH3USP2TDP1KCNH2
SCHEMBL3545201 0.88 HRH3 (0.50) HTTHRH3KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 HTT 802/4885HRH3 2/4885USP2 3556/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HTT 802/4885HRH3 2/4885USP2 3556/4885

“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.