SCHEMBL3612957

SCHEMBL3612957

COCCCOc1ccccc1C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.69
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ NR1I2 O75469 1/20 0.69
▸ CHRM2 P08172 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ ADRA2A P08913 1/20 0.69
▸ OPRK1 P41145 1/20 0.69
▸ HTR2B P41595 1/20 0.69
▸ SLC6A3 Q01959 1/20 0.69
▸ HDAC6 Q9UBN7 1/20 0.69
▸ HTT P42858 2/20 0.65
▸ KDM4E B2RXH2 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ PARP1 P09874 1/20 0.53
▸ HTR1A P08908 4/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.51
▸ TBXAS1 P24557 1/20 0.51
▸ ALDH1A1 P00352 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
SCHEMBL5249883 0.97 LMNA (0.74) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL23835432 0.92 LMNA (0.67) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL28730343 0.87 LMNA (0.64) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL13313222 0.85 LMNA (0.73) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL3383338 0.85 ALDH1A1 (0.67) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL6835723 0.85 LMNA (0.88) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL2566314 0.83 LMNA (0.50) LMNAMEN1KMT2AMAPTNR1I2
Pentalamide SCHEMBL30575479 0.83 LMNA (0.97) LMNAMEN1KMT2AMAPTNR1I2
Pentalamide SCHEMBL1262590 0.83 LMNA (0.97) LMNAMEN1KMT2AMAPTNR1I2
SCHEMBL5722057 0.83 MAPT (0.59) LMNAMEN1KMT2AMAPTNR1I2

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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 — — US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 — — EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 — — WO disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 — — CN 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 (1 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD LMNA 2796/4885MEN1 1437/4885KMT2A 3722/4885

“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.

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