SCHEMBL22491538

SCHEMBL22491538

COc1ccc(C(c2ccncc2)C2CCN(C(=O)O)CC2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PDE4A P27815 9/20 0.43
MGLL Q99685 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
HIF1A Q16665 1/20 0.40
MRGPRX1 Q96LB2 1/20 0.39
ROCK2 O75116 1/20 0.39
PRKG1 Q13976 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL22491428 1.00 LMNA (0.50) LMNAPDE4AMGLLMEN1KMT2A
SCHEMBL22491574 0.87 PDE4D (0.46) LMNAPDE4AMGLLALDH1A1PDE4D
SCHEMBL22773295 0.87 PDE4D (0.46) LMNAPDE4AMGLLALDH1A1PDE4D
SCHEMBL22773261 0.86 MMP13 (0.49) LMNAPDE4AMEN1KMT2AALDH1A1
SCHEMBL22491429 0.83 KDM4E (0.41) LMNAMGLLMEN1KMT2AALDH1A1
SCHEMBL22491592 0.83 KDM4E (0.41) LMNAMGLLMEN1KMT2AALDH1A1
SCHEMBL21381630 0.78 SLC6A4 (0.47) PDE4AKMT2APDE4BPDE4CPDE4D
SCHEMBL29734316 0.78 SLC6A4 (0.47) PDE4AKMT2APDE4BPDE4CPDE4D
SCHEMBL23211847 0.77 MGLL (0.64) MGLL
SCHEMBL30149618 0.77 MGLL (0.64) MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY LMNA 16/4885PDE4A 2507/4885MGLL 1532/4885

“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.