SCHEMBL415718

SCHEMBL415718

COc1ccc(-c2nc3ccc(-c4ccc5[nH]c(-c6ccccc6)nc5c4)cc3[nH]2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.75
RAB9A P51151 9/20 0.75
SMN1; SMN2 Q16637 8/20 0.75
ALDH1A1 P00352 6/20 0.75
KDM4E B2RXH2 6/20 0.75
HPGD P15428 6/20 0.75
TP53 P04637 5/20 0.75
NFKB1 P19838 3/20 0.75
NFKB2 Q00653 3/20 0.75
RELA Q04206 3/20 0.75
HSD17B10 Q99714 3/20 0.75
TSHR P16473 2/20 0.75
PKM P14618 3/20 0.70
SLC2A1 P11166 1/20 0.62
KMT2A Q03164 6/20 0.60
MEN1 O00255 5/20 0.60
LMNA P02545 3/20 0.60
POLB P06746 3/20 0.60
MAPT P10636 6/20 0.59
USP2 O75604 1/20 0.59

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
SCHEMBL18715523 1.00 NPC1 (0.75) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2478174 0.95 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7852530 0.93 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8603235 0.89 SLC2A1 (0.76) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16281922 0.89 NPC1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL419326 0.89 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4186413 0.86 NPC1 (0.94) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16281928 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL20445328 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2324292 0.86 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-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
EP-2373631-A2 ANTIBACTERIAL COMPOUNDS Summit Corporation Plc (GB) 2011-10-12 EP 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 NPC1 512/4885RAB9A 1670/4885SMN1; SMN2 2597/4885
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS RPN2, MRPL21, ALPI NPC1 509/4885RAB9A 1673/4885SMN1; SMN2 2666/4885
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI NPC1 512/4885RAB9A 1670/4885SMN1; SMN2 2597/4885

“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.