SCHEMBL4119648

SCHEMBL4119648

COc1ccc(NC(=O)N(CCN)CCN2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ MAPT P10636 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ TSHR P16473 1/20 0.57
▸ GAA P10253 1/20 0.52
▸ ROCK2 O75116 2/20 0.52
▸ ROCK1 Q13464 2/20 0.52
▸ SIGMAR1 Q99720 1/20 0.50
▸ LIMK1 P53667 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MCL1 Q07820 1/20 0.46

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
SCHEMBL4107235 0.84 CNR1 (0.54) TSHRTP53POLB
SCHEMBL4111628 0.81 EPHX2 (0.53) ALDH1A1KDM4ETSHRCASR
SCHEMBL4119993 0.81 KDM4E (0.51) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL4125793 0.79 EPHX2 (0.53) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL4116393 0.78 EPHX2 (0.52) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL25986892 0.75 MAPT (0.56) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL4120268 0.75 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHSD17B10TSHR
SCHEMBL4117632 0.72 HTT (0.55) ALDH1A1ALOX15ROCK2ROCK1SMN1; SMN2
SCHEMBL25988140 0.71 MAPT (0.54) ALDH1A1ALOX15MAPTKDM4EHSD17B10
SCHEMBL14006229 0.71 MAPT (0.83) ALDH1A1ALOX15MAPTKDM4ETSHR

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 3256/4885ALOX15 1804/4885MAPT 1996/4885

“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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