SCHEMBL4107385

SCHEMBL4107385

CC(C)(C)OC(=O)NCCN(CCN1CCCCC1)C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HTT P42858 1/20 0.49
▸ CASR P41180 1/20 0.47
▸ DRD2 P14416 6/20 0.47
▸ POLB P06746 1/20 0.47
▸ ACHE P22303 1/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ CYP1A2 P05177 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
SCHEMBL4123704 0.88 DRD2 (0.53) TP53DRD2ACHEBACE1
SCHEMBL4115004 0.82 CNR1 (0.59) ALDH1A1TSHRLMNAGAAMEN1
SCHEMBL4107606 0.82 FPR3 (0.46) ALDH1A1TSHRKDM4EHTTCASR
SCHEMBL4119993 0.81 KDM4E (0.51) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL4114315 0.80 EPHX2 (0.50) ALDH1A1TSHRKDM4ECASRDRD2
SCHEMBL4120268 0.80 ALDH1A1 (0.60) ALDH1A1TSHRLMNAGAAMEN1
SCHEMBL4111553 0.80 CASR (0.53) ALDH1A1TSHRLMNAGAAMEN1
SCHEMBL4117632 0.76 HTT (0.55) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL4115134 0.74 MEN1 (0.53) ALDH1A1MEN1KMT2ACASRPOLB
SCHEMBL4128421 0.74 EPHX2 (0.55) TSHRKMT2ATP53PKMDRD2

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
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US disclosed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP disclosed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO 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-20090118330-A1 Diurea derivatives IL2, CASP2, MAVS ALDH1A1 3256/4885TSHR 2935/4885LMNA 3428/4885

“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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