SCHEMBL416825

SCHEMBL416825

Nc1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.76
TDP1 Q9NUW8 5/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
POLB P06746 2/20 0.76
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 1/20 0.55
ALOX15 P16050 1/20 0.55
ATM Q13315 1/20 0.55
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.47
LMNA P02545 2/20 0.47
HIF1A Q16665 1/20 0.44
GALR3 O60755 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL25247338 0.90 TDP1 (0.76) MAPTTDP1MEN1KMT2APOLB
SCHEMBL31109079 0.90 TDP1 (0.76) MAPTTDP1MEN1KMT2APOLB
SCHEMBL737722 0.87 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL29409289 0.87 MAPT (1.00) MAPTTDP1MEN1KMT2APOLB
SCHEMBL22130136 0.84 TDP1 (0.56) MAPTTDP1MEN1KMT2APOLB
SCHEMBL720358 0.84 TDP1 (0.79) MAPTTDP1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3973011 0.83 MAPT (0.92) MAPTTDP1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL3973012 0.83 MAPT (0.92) MAPTTDP1MEN1KMT2APOLB
SCHEMBL8601406 0.82 MAPT (0.88) MAPTTDP1MEN1KMT2APOLB
SCHEMBL15156570 0.82 TDP1 (0.63) MAPTTDP1MEN1KMT2APOLB

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 MAPT 2963/4885TDP1 4052/4885MEN1 3400/4885
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS RPN2, MRPL21, ALPI MAPT 3002/4885TDP1 4050/4885MEN1 3476/4885
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI MAPT 2963/4885TDP1 4052/4885MEN1 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.