SCHEMBL4252837

SCHEMBL4252837

COC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C2=CC(C)(C)CC(C)(C)C2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
NR1H2 P55055 1/20 0.38
MEN1 O00255 4/20 0.38
CYP2C19 P33261 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
PDK2 Q15119 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 2/20 0.36

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
SCHEMBL5053433 0.88 ALDH1A1 (0.43) KMT2AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL4130415 0.83 SMARCA2 (0.46) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4849254 0.83 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2CYP2C19
SCHEMBL1479509 0.76 LMNA (0.49) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL29902983 0.76 KMT2A (0.52) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10306695 0.76 KMT2A (0.52) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30414220 0.76 LMNA (0.49) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4255027 0.76 MAPT (0.40) KMT2AALDH1A1MAPTLMNAPKM
SCHEMBL354815 0.75 L3MBTL1 (0.57) KMT2AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL31615949 0.75 KDM4E (0.67) KMT2AALDH1A1MAPTLMNAPKM

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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
EP-1892238-A1 1, 2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-02-27 EP disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 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 (3 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-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE CCR10, H1-10, VCAM1 KMT2A 3548/4885ALDH1A1 305/4885MAPT 4564/4885
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 KMT2A 3644/4885ALDH1A1 309/4885MAPT 4459/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 KMT2A 3396/4885ALDH1A1 617/4885MAPT 2706/4885

“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.