SCHEMBL13602802

SCHEMBL13602802

O=C1NCC2=C1C(c1ccccc1)Oc1ccccc1N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 1/20 0.59
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
BRD4 O60885 2/20 0.40
CREBBP Q92793 2/20 0.40
PARP1 P09874 1/20 0.40
CA2 P00918 1/20 0.39
ABCC9 O60706 2/20 0.35
ABCC8 Q09428 2/20 0.35
KCNJ11 Q14654 2/20 0.35
KCNJ8 Q15842 2/20 0.35
AR P10275 4/20 0.35
NR3C1 P04150 3/20 0.35
PGR P06401 3/20 0.35

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
SCHEMBL13655513 0.90 MAPT (0.48) KMT2AMEN1KDM4EMAPTCYP1A2
SCHEMBL13121245 0.90 CYP2C9 (0.62) KMT2AMEN1KDM4EMAPTCYP1A2
SCHEMBL5670399 0.75 CA2 (0.62) KMT2AKDM4EBRD4CREBBPPARP1
SCHEMBL13602795 0.74 MEN1 (1.00) KMT2AMEN1KDM4EMAPTCYP1A2
SCHEMBL31563602 0.70 BRD4 (0.37) KMT2AMEN1KDM4EMAPTBRD4
SCHEMBL31563597 0.70 LMNA (0.45) KDM4EBRD4CREBBPPARP1AR
SCHEMBL14267652 0.68 MAPT (0.56) KMT2AMEN1KDM4EMAPTCYP1A2
SCHEMBL5673003 0.68 PARP1 (0.42) KMT2AMEN1MAPTBRD4CREBBP
SCHEMBL29044382 0.68 MAPT (0.73) KMT2AMEN1KDM4EMAPTCYP1A2
SCHEMBL13602815 0.68 MEN1 (0.84) KMT2AMEN1KDM4EMAPTCYP1A2

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-7632830-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2009-12-15 US disclosed
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2008-04-24 US disclosed
US-7326701-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-02-05 US 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-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A8, SLC2A1 KMT2A 4672/4885MEN1 2372/4885KDM4E 3909/4885

“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.