SCHEMBL14979174

SCHEMBL14979174

CCOC(=O)Cn1nc(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
ELANE P08246 1/20 0.42
IRAK1 P51617 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL14979210 0.85 L3MBTL1 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL14979169 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2SLC6A4MEN1KMT2A
SCHEMBL16153715 0.81 CNR1 (0.51) ALDH1A1SMN1; SMN2MAPTGAAKDM4E
SCHEMBL14979223 0.78 TDP1 (0.53) ALDH1A1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL16085847 0.77 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL14979207 0.76 KDM4E (0.49) L3MBTL1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL27903180 0.76 SMN1; SMN2 (0.48) L3MBTL1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL14979208 0.76 L3MBTL1 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL14979173 0.75 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1
SCHEMBL29427445 0.74 GAA (0.55) CYP1A2CYP3A4CYP2C9CYP2C19L3MBTL1

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 9 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-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 CYP1A2 1983/4885CYP3A4 3229/4885CYP2C9 3496/4885

“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.