SCHEMBL417825

SCHEMBL417825

Nc1ccc(-c2nc3cc(-c4ccc5[nH]c(-c6ccccc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
SMN1; SMN2 Q16637 8/20 0.71
NPC1 O15118 8/20 0.71
HPGD P15428 8/20 0.71
RAB9A P51151 7/20 0.71
KDM4E B2RXH2 7/20 0.71
MAPT P10636 7/20 0.71
HSD17B10 Q99714 5/20 0.71
POLB P06746 5/20 0.71
TP53 P04637 4/20 0.71
GFER P55789 3/20 0.71
GAA P10253 6/20 0.67
GLA P06280 4/20 0.67
HTT P42858 1/20 0.67
RCE1 Q9Y256 1/20 0.67
MEN1 O00255 8/20 0.61
KMT2A Q03164 8/20 0.61
RXFP1 Q9HBX9 2/20 0.61
RECQL P46063 2/20 0.61
CACNA1B Q00975 1/20 0.58

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
SCHEMBL9862039 0.93 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL31289476 0.90 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL516689 0.90 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL22649095 0.90 NPC1 (0.67) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL419961 0.87 MEN1 (0.77) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL10002475 0.87 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL30307784 0.86 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL28312335 0.86 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL159873 0.86 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL6509350 0.86 MAPT (0.69) ALDH1A1SMN1; SMN2NPC1HPGDRAB9A

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 ALDH1A1 1088/4885SMN1; SMN2 2597/4885NPC1 512/4885
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS RPN2, MRPL21, ALPI ALDH1A1 1135/4885SMN1; SMN2 2666/4885NPC1 509/4885
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI ALDH1A1 1088/4885SMN1; SMN2 2597/4885NPC1 512/4885

“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.