SCHEMBL14845115

SCHEMBL14845115

CCn1nc(C(=O)OCc2ccc(OC)cc2)c(=O)c2c(Cl)c(OCc3ccc(OC)cc3)c(OCc3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ PLK1 P53350 1/20 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
SCHEMBL14845180 0.91 POLB (0.38) KMT2ALMNAKDM4EPOLBCYP1A2
SCHEMBL15991674 0.85 PDE1B (0.38) KMT2ANPBWR1LMNAKDM4EPOLB
SCHEMBL15999516 0.84 CASP3 (0.42) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL14842816 0.83 ALDH1A1 (0.37) KMT2ATDP1NPBWR1LMNAKDM4E
SCHEMBL14842605 0.82 CACNA1G (0.44) KMT2AKDM4EPOLBALDH1A1GAA
SCHEMBL14854392 0.82 TSHR (0.41) KMT2ALMNAKDM4EPOLBCYP1A2
SCHEMBL17181557 0.80 TP53 (0.40) KMT2ACASP3SENP8SENP7SENP6
SCHEMBL15991669 0.79 HRH3 (0.43) KMT2AKDM4EMEN1MAPT
SCHEMBL15991707 0.79 TP53 (0.38) LMNAKDM4EPOLBCYP1A2CYP2C9
SCHEMBL14845123 0.76 LMNA (0.43) MTNR1AMTNR1BLMNAKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763539-B1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LTD (GB) 2017-02-08 — — EP disclosed
US-9340556-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2016-05-17 — — US disclosed
US-20140249126-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-09-04 — — US disclosed
EP-2763539-A1 ANTIBACTERIAL COMPOUNDS Glaxo Group Limited (GB) 2014-08-13 — — EP disclosed
WO-2013052568-A1 ANTIBACTERIAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-04-11 — — 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-20140249126-A1 ANTIBACTERIAL COMPOUNDS MRPL21, PEPD, ABCB11 KMT2A 4417/4885CASP3 902/4885SENP8 2483/4885

“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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