SCHEMBL14979207

SCHEMBL14979207

CCOC(=O)Cn1c(CC)c(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 3/20 0.47
LMNA P02545 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
P2RX4 Q99571 1/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 3/20 0.43
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.41
CTNNB1 P35222 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL14979223 0.90 TDP1 (0.53) KDM4ERAB9ALMNATDP1ALDH1A1
SCHEMBL14979206 0.85 KDM4E (0.53) KDM4ERAB9ALMNATDP1ALDH1A1
SCHEMBL16104114 0.79 LMNA (0.50) LMNATDP1ALDH1A1P2RX4MAPT
SCHEMBL11824449 0.77 MAPT (0.67) KDM4ERAB9ALMNATDP1ALDH1A1
SCHEMBL14979174 0.76 CYP1A2 (0.59) KDM4ERAB9ALMNAALDH1A1TSHR
SCHEMBL16085861 0.75 KDM4E (0.45) KDM4ERAB9ALMNATDP1ALDH1A1
SCHEMBL14979204 0.75 PTGDR2 (0.48) KDM4ERAB9AKMT2AMEN1
SCHEMBL6323875 0.74 KDM4E (0.56) KDM4ERAB9ALMNATDP1ALDH1A1
SCHEMBL8135365 0.74 KDM4E (0.55) KDM4ERAB9ALMNATDP1ALDH1A1
SCHEMBL14979164 0.74 TDP1 (0.57) KDM4ERAB9ALMNATDP1ALDH1A1

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
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2018-12-12 EP disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
WO-2013071880-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS 山东亨利医药科技有限责任公司 (CN) 2013-05-23 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-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, NR3C2 KDM4E 4321/4885RAB9A 2389/4885LMNA 1370/4885

“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.