SCHEMBL414921

SCHEMBL414921

Nc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccc(N)nc6)nc5c4)ccc3[nH]2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.56
▸ NPC1 O15118 8/20 0.48
▸ ALDH1A1 P00352 8/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ PKM P14618 4/20 0.48
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ SMN1; SMN2 Q16637 7/20 0.45
▸ MAPT P10636 6/20 0.45
▸ HPGD P15428 5/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ GFER P55789 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ GLA P06280 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ TP53 P04637 2/20 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
SCHEMBL3054720 0.84 NPC1 (0.68) NPBWR1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL15231864 0.80 NPBWR1 (0.84) NPBWR1
SCHEMBL9862039 0.80 ALDH1A1 (0.69) NPBWR1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL16497715 0.75 ALDH1A1 (0.48) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL416600 0.74 ALDH1A1 (0.74) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL417825 0.74 ALDH1A1 (0.71) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL419961 0.74 MEN1 (0.77) NPBWR1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL57009 0.74 POLB (0.57) NPC1ALDH1A1RAB9AKDM4EPKM
SCHEMBL30533210 0.74 MEN1 (0.73) NPBWR1NPC1ALDH1A1RAB9AKDM4E
SCHEMBL1655753 0.74 MEN1 (0.73) NPBWR1NPC1ALDH1A1RAB9AKDM4E

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975416-B2 Antibacterial compounds SUMMIT CORPORATION PLC (GB) 2015-03-10 — — US claimed
EP-2373631-B1 ANTIBACTERIAL COMPOUNDS SUMMIT CORP PLC (GB) 2015-02-25 — — EP claimed
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS SUMMIT CORPORATION PLC 2012-01-26 — — US claimed
US-9763925-B2 Antibacterial compounds SUMMIT THERAPEUTICS PLC (GB) 2017-09-19 — — US disclosed
EP-3095783-A1 ANTIBACTERIAL COMPOUNDS Summit Corporation Plc (GB) 2016-11-23 — — EP disclosed
US-20160184283-A1 ANTIBACTERIAL COMPOUNDS SUMMIT (OXFORD) LIMITED (GB) 2016-06-30 — — US disclosed
US-9314456-B2 Antibacterial compounds SUMMIT THERAPEUTICS PLC (GB) 2016-04-19 — — US disclosed
EP-2907813-A1 Antibacterial Compound Summit Corporation Plc (GB) 2015-08-19 — — EP disclosed
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS SUMMIT (OXFORD) LIMITED (GB) 2015-06-04 — — US disclosed
US-8975416-B2 Antibacterial compounds SUMMIT CORPORATION PLC (GB) 2015-03-10 — — US disclosed
EP-2373631-B1 ANTIBACTERIAL COMPOUNDS SUMMIT CORP PLC (GB) 2015-02-25 — — EP disclosed
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS SUMMIT CORPORATION PLC 2012-01-26 — — US disclosed
WO-2010063996-A2 ANTIBACTERIAL COMPOUNDS SUMMIT CORPORATION PLC (GB) 2010-06-10 — — 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 (3 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-20160184283-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI NPBWR1 3876/4885NPC1 512/4885ALDH1A1 1088/4885
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS RPN2, MRPL21, ALPI NPBWR1 3851/4885NPC1 509/4885ALDH1A1 1135/4885
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI NPBWR1 3876/4885NPC1 512/4885ALDH1A1 1088/4885

“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.

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