SCHEMBL14979229

SCHEMBL14979229

CCOC(=O)Cc1nn(Cc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.48
MAPT P10636 5/20 0.48
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 7/20 0.47
TP53 P04637 3/20 0.47
GLA P06280 1/20 0.47
MAOB P27338 2/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 5/20 0.45
GAA P10253 3/20 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
SCHEMBL14979213 0.88 KMT2A (0.55) RAB9AMAPTTSHRKMT2AMEN1
SCHEMBL16085966 0.86 PTGDR2 (0.59) RAB9AKMT2AMEN1NPC1ALDH1A1
SCHEMBL14979186 0.85 PTGDR2 (0.54) MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL14979245 0.83 PTGDR2 (0.51) MAPTALDH1A1TP53
SCHEMBL14979189 0.82 ALDH1A1 (0.51) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL14979252 0.82 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1TP53MAPK1
SCHEMBL16085905 0.82 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL16085874 0.79 NPC1 (0.51) RAB9AMAPTTSHRL3MBTL1KMT2A
SCHEMBL16104144 0.79 ALDH1A1 (0.61) MAPTL3MBTL1SMN1; SMN2ALDH1A1TP53
SCHEMBL16086062 0.77 PTGDR2 (0.55) RAB9AMAPTKMT2ANPC1ALDH1A1

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 RAB9A 2389/4885MAPT 4216/4885TSHR 663/4885

“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.