SCHEMBL14979166

SCHEMBL14979166

COC(=O)Cc1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.59
PLA2G2A P14555 5/20 0.59
PTGDR2 Q9Y5Y4 2/20 0.55
P2RX4 Q99571 1/20 0.55
AR P10275 3/20 0.52
KMT2A Q03164 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
GFER P55789 1/20 0.49
PPARG P37231 1/20 0.48
PLA2G1B P04054 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL8301038 0.86 PLA2G2A (0.71) PLA2G2APTGDR2HDAC1HDAC6GFER
SCHEMBL14979163 0.84 PLA2G2A (0.62) PLA2G2APTGDR2HDAC1HDAC6GFER
SCHEMBL1939701 0.83 PTGDR2 (0.80) LMNAPTGDR2
SCHEMBL8300494 0.76 PLA2G2A (0.66) LMNAPLA2G2APTGDR2GFERPLA2G1B
SCHEMBL14979223 0.75 TDP1 (0.53) LMNAPLA2G2APTGDR2P2RX4AR
SCHEMBL16104114 0.75 LMNA (0.50) LMNAPLA2G2APTGDR2P2RX4AR
SCHEMBL7961998 0.75 PLA2G2A (0.62) PLA2G2APLA2G1BTP53MAPT
SCHEMBL8388468 0.74 MAPT (0.57) LMNAPLA2G2AP2RX4KMT2AMAPT
SCHEMBL1003148 0.74 HDAC6 (0.67) PLA2G2AP2RX4KMT2AHDAC1HDAC6
SCHEMBL14979168 0.74 PTGDR2 (0.54) PLA2G2APTGDR2KMT2AHDAC1HDAC6

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 LMNA 1370/4885PLA2G2A 3727/4885PTGDR2 125/4885

“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.