SCHEMBL2234743

SCHEMBL2234743

O=C(NCCCCl)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 4/20 0.66
HTT P42858 2/20 0.66
HDAC1 Q13547 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
LMNA P02545 2/20 0.60
CNR1 P21554 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 1/20 0.55
CDK9 P50750 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 3/20 0.55

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
SCHEMBL2236638 0.89 EPHX1 (0.62) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL2446111 0.89 EPHX1 (0.77) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL19420655 0.87 EPHX1 (0.83) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL9547553 0.87 EPHX1 (0.83) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL16288298 0.86 RNF4 (0.64) EPHX1KDM4EALDH1A1HTTLMNA
SCHEMBL27891115 0.85 HDAC1 (0.75) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL11051077 0.85 EPHX1 (0.70) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL3514882 0.84 EPHX1 (0.70) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL3065011 0.84 EPHX1 (0.70) EPHX1KDM4EALDH1A1HTTHDAC1
SCHEMBL10192080 0.83 ALDH1A1 (0.64) EPHX1ALDH1A1HTTCNR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8253456-A None JP disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
US-9034888-B2 Substituted 2-imidazolidones and analogs UNIVERSITE LAVAL (CA) 2015-05-19 US disclosed
EP-2536693-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS Université Laval (CA) 2012-12-26 EP disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
US-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITE LAVAL (CA) 2012-12-06 US disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed
WO-2011100840-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS UNIVERSITé LAVAL (CA) 2011-08-25 WO disclosed
JP-H08253456-A 2-PERHYDROPYRIMIDINONE DERIVATIVE, HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT AND INTERMEDIATE FOR PRODUCING THE SAME MITSUBISHI CHEM CORP 1996-10-01 JP 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-20120309777-A1 SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS CCNY, RPS4Y1, TPX2 EPHX1 3256/4885KDM4E 429/4885ALDH1A1 1937/4885

“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.