SCHEMBL415316

SCHEMBL415316

COc1ccc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
ALDH1A1 P00352 5/20 0.69
HPGD P15428 4/20 0.69
PKM P14618 4/20 0.69
TP53 P04637 3/20 0.69
POLB P06746 3/20 0.69
LMNA P02545 2/20 0.69
SLC2A1 P11166 1/20 0.64
RAB9A P51151 5/20 0.62
NFKB1 P19838 3/20 0.62
MAPT P10636 3/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
HTT P42858 2/20 0.62
MAPK1 P28482 2/20 0.62
GAA P10253 2/20 0.62
STAT1 P42224 1/20 0.62

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
SCHEMBL8603235 0.90 SLC2A1 (0.76) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2478174 0.85 NPC1 (0.68) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1662754 0.85 MEN1 (0.84) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL412846 0.84 MEN1 (0.74) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20982659 0.82 NPC1 (0.85) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6243395 0.82 NPC1 (1.00) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12837269 0.80 ALOX5 (0.70) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL415718 0.80 NPC1 (0.75) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL18715523 0.80 NPC1 (0.75) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28500114 0.80 NPC1 (0.56) NPC1SMN1; SMN2MEN1KMT2AALDH1A1

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
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 512/4885SMN1; SMN2 2597/4885MEN1 3400/4885
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS RPN2, MRPL21, ALPI NPC1 509/4885SMN1; SMN2 2666/4885MEN1 3476/4885
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI NPC1 512/4885SMN1; SMN2 2597/4885MEN1 3400/4885

“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.