SCHEMBL4111553

SCHEMBL4111553

O=C(NCCN(CCN1CCCCC1)C(=O)Nc1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.53
▸ PKM P14618 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MCHR1 Q99705 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ UBE2M P61081 2/20 0.48
▸ DCUN1D1 Q96GG9 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ CCR3 P51677 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL4107357 0.95 CASR (0.58) CASRGAAMCHR1KMT2AMEN1
SCHEMBL4116411 0.93 CNR1 (0.54) CASRLMNAKMT2AMEN1NPSR1
SCHEMBL4106984 0.91 EPHX2 (0.58) CASRGAAKMT2AMEN1UBE2M
SCHEMBL4118060 0.90 EPHX2 (0.59) CASRKMT2AMEN1UBE2MDCUN1D1
SCHEMBL4115004 0.88 CNR1 (0.59) PKMALDH1A1LMNAGAATHRB
SCHEMBL4128421 0.88 EPHX2 (0.55) PKMMCHR1KMT2ATP53TSHR
SCHEMBL4119727 0.88 EPHX2 (0.55) CASRPKMALDH1A1LMNAGAA
SCHEMBL4115069 0.87 ALOX15 (0.52) CASRALDH1A1LMNAKMT2AMEN1
SCHEMBL4112231 0.84 CNR1 (0.59) KMT2AMEN1TP53EPHX2MAPT
SCHEMBL4124304 0.83 MEN1 (0.58) CASRKMT2AMEN1EPHX2CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118330-A1 Diurea derivatives ACTIVE BIOTECH AB (SE) 2009-05-07 — — US claimed
EP-1711175-A1 DIUREA DERIVATIVES Active Biotech AB (SE) 2006-10-18 — — EP claimed
WO-2005074919-A1 DIUREA DERIVATIVES ACTIVE BIOTECH AB (SE) 2005-08-18 — — WO claimed
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 CASR 2199/4885PKM 3183/4885ALDH1A1 3256/4885

“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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