SCHEMBL5496563

SCHEMBL5496563

O=C1NC[C@H](Cc2ccccc2)N1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE4A P27815 2/20 0.46
MAPK1 P28482 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4D Q08499 2/20 0.46
TNF P01375 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
TACR2 P21452 7/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL410596 1.00 MEN1 (0.47) MEN1KMT2APDE4AMAPK1PDE4B
SCHEMBL411529 0.82 POLB (0.49) MEN1KMT2APOLB
SCHEMBL15508246 0.78 MEN1 (0.59) MEN1KMT2ATACR2POLB
SCHEMBL16928440 0.78 MEN1 (0.59) MEN1KMT2ATACR2POLB
SCHEMBL1598073 0.78 MEN1 (0.47) MEN1KMT2APOLB
SCHEMBL29721614 0.76 KDM4E (0.42) MEN1KMT2APDE4AMAPK1PDE4B
SCHEMBL682465 0.75 HDAC8 (0.45) MEN1KMT2ATACR2POLB
SCHEMBL2088808 0.75 HDAC8 (0.45) MEN1KMT2ATACR2POLB
SCHEMBL682821 0.75 HDAC8 (0.45) MEN1KMT2ATACR2POLB
SCHEMBL7385157 0.75 HDAC8 (0.47) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186828-B2 Cyclic urea compounds and preparation thereof IMMUPHARMA (FRANCE) SA (FR) 2007-03-06 US disclosed
US-7186828-B2 Cyclic urea compounds and preparation thereof IMMUPHARMA (FRANCE) SA (FR) 2007-03-06 US disclosed
EP-1754700-A2 Synthesis of oligoketides Kosan Biosciences, Inc. (US) 2007-02-21 EP disclosed
US-7022825-B2 Polyketides and antibiotics KOSAN BIOSCIENCES, INC. (US) 2006-04-04 US disclosed
US-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer ASHLEY GARY (US) 2003-05-22 US disclosed
US-20030092140-A1 Novel polyketides and antibiotics ASHLEY GARY (US) 2003-05-15 US disclosed
US-6492562-B1 INVENTION ALSO RELATES TO NOVEL INTERMEDIATES AND THE RESULTING MODIFIED POLYKETIDES AND ANTIBIOTICS. KOSAN BIOSCIENCES, INC. 2002-12-10 US disclosed
EP-1144375-A2 SYNTHESIS OF OLIGOKETIDES Kosan Biosciences (US) 2001-10-17 EP disclosed
WO-2000044717-A9 SYNTHESIS OF OLIGOKETIDES 2001-08-23 WO disclosed
WO-2000044717-A2 SYNTHESIS OF OLIGOKETIDES KOSAN BIOSCIENCES, INC. (US) 2000-08-03 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-20030096374-A1 Preparation of ketide ester; obtain benzoxazolone derivative, incubate with polyketide synthase, recover ketide oligomer COASY, KARS1, ACOT7 MEN1 4480/4885KMT2A 752/4885PDE4A 3003/4885

“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.