SCHEMBL14979243

SCHEMBL14979243

O=C(Nc1ccc(CBr)cn1)c1ccc2ccccc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.70
RAB9A P51151 6/20 0.70
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
DEGS1 O15121 3/20 0.68
NR1H4 Q96RI1 2/20 0.51
MTOR P42345 1/20 0.50
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GCK P35557 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
HCAR3 P49019 1/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL16085858 0.82 NPC1 (0.63) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL6801212 0.81 DEGS1 (0.75) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL20284450 0.81 DEGS1 (1.00) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL29518552 0.81 DEGS1 (1.00) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL14979240 0.80 DEGS1 (0.73) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL6795856 0.78 DEGS1 (0.70) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL21280085 0.75 DEGS1 (0.52) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL14979196 0.75 DEGS1 (0.65) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL6802171 0.74 DEGS1 (0.57) NPC1RAB9AMEN1KMT2ADEGS1
SCHEMBL6802167 0.74 DEGS1 (0.57) NPC1RAB9AMEN1KMT2ADEGS1

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 NPC1 854/4885RAB9A 2389/4885MEN1 1975/4885

“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.