SCHEMBL4113667

SCHEMBL4113667

O=C(NCCN(CCN1CCCC1)C(=O)Nc1cccc(F)c1)Nc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ MCHR1 Q99705 5/20 0.49
▸ HTR3A P46098 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ CASR P41180 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ MAPT P10636 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
SCHEMBL4115134 0.99 MEN1 (0.53) MEN1KMT2APOLBMCHR1HTR3A
SCHEMBL4107357 0.86 CASR (0.58) MEN1KMT2APOLBMCHR1CASR
SCHEMBL4118060 0.83 EPHX2 (0.59) MEN1KMT2APOLBCASR
SCHEMBL4115004 0.83 CNR1 (0.59) MEN1KMT2APOLBALDH1A1CNR1
SCHEMBL4106984 0.83 EPHX2 (0.58) MEN1KMT2APOLBCASR
SCHEMBL4111553 0.81 CASR (0.53) MEN1KMT2AMCHR1ALDH1A1CASR
SCHEMBL4116411 0.81 CNR1 (0.54) MEN1KMT2ACASRCNR1MAPT
SCHEMBL4119717 0.81 EPHX2 (0.57) MEN1KMT2APOLBHTR3ACASR
SCHEMBL4107614 0.80 CNR1 (0.71) MEN1KMT2APOLBMCHR1CNR1
SCHEMBL4124304 0.80 MEN1 (0.58) MEN1KMT2APOLBHTR3ACASR

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 MEN1 4167/4885KMT2A 2720/4885POLB 2764/4885

“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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