SCHEMBL3105145

SCHEMBL3105145

O=C(O)c1cn(Cc2ccccc2)c2cc(Cl)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.59
LMNA P02545 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
ADORA1 P30542 1/20 0.53
CPT1A P50416 1/20 0.53
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL5544795 0.91 LMNA (0.73) LMNASMN1; SMN2RXFP1CNR2
SCHEMBL8358588 0.89 LMNA (0.62) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL825427 0.87 SERPINE1 (0.49) SERPINE1LMNAL3MBTL1ADORA1CPT1A
SCHEMBL2003405 0.86 SERPINE1 (0.59) SERPINE1LMNAL3MBTL1ADORA1MAPK1
SCHEMBL14406116 0.84 SERPINE1 (0.57) SERPINE1LMNAL3MBTL1ADORA1MAPK1
SCHEMBL13621801 0.84 LMNA (0.68) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL27956740 0.83 CPT1A (0.51) SERPINE1LMNACPT1ANPSR1KDM4E
SCHEMBL1606606 0.83 LMNA (0.80) LMNAL3MBTL1ADORA1MAPK1NPSR1
SCHEMBL2642676 0.82 KDM4E (0.48) LMNACPT1AKDM4EHTTSMN1; SMN2
SCHEMBL5544822 0.82 LMNA (0.73) LMNASMN1; SMN2RXFP1ALDH1A1

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 7 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
CN-101268067-A Indol-3-yl-carbonyl-piperidine-benzimidazole derivatives as V1A receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-17 CN 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 SERPINE1 1271/4885LMNA 747/4885L3MBTL1 3751/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B SERPINE1 1271/4885LMNA 747/4885L3MBTL1 3751/4885

“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.