SCHEMBL3099150

SCHEMBL3099150

O=C(O)c1c(C(=O)N2CCCC2)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
KDM4E B2RXH2 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGS2 P35354 1/20 0.44

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
SCHEMBL14073995 0.84 DRD2 (0.58) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL2730991 0.82 PTGS2 (0.52) HPGDKDM4EALDH1A1MAPTNPC1
SCHEMBL87871 0.79 KDM4E (0.65) HPGDKDM4ETDP1ALDH1A1MAPT
SCHEMBL2343474 0.77 TUBB4A (0.57) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL3099297 0.77 HSD11B1 (0.60) MAPK1ALDH1A1
SCHEMBL16433366 0.74 KDM4E (0.66) HPGDKDM4ETDP1ALDH1A1MAPT
SCHEMBL9654119 0.73 KDM4E (0.57) HPGDKDM4ETDP1MAPK1ALDH1A1
SCHEMBL5757658 0.72 PTGS2 (0.58) HPGDKDM4EMAPK1MAPTKMT2A
SCHEMBL6154104 0.71 HRH4 (0.57) KMT2A
SCHEMBL2345945 0.71 POLB (0.45) KDM4EALDH1A1MAPTKMT2AHTT

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-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES BISSANTZ CATERINA 2010-10-07 US disclosed
US-7803815-B2 Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1912976-B1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
EP-1912976-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
WO-2007009906-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 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-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AVPR1A, AVPR2, AVPR1B HPGD 2404/4885KDM4E 2959/4885TDP1 4725/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B HPGD 2404/4885KDM4E 2959/4885TDP1 4725/4885

“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.