SCHEMBL3207252

SCHEMBL3207252

C=CCNc1cc([N+](=O)[O-])nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HCAR3 P49019 1/20 0.45
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.41
GLA P06280 2/20 0.41
TSHR P16473 1/20 0.41
NPY1R P25929 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SUMO3 P55854 1/20 0.40
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
DHFR P00374 2/20 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
SCHEMBL8562615 0.81 KMT2A (0.51) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8601044 0.78 MAPT (0.40) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL8601653 0.78 TDP1 (0.48) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8597034 0.78 KDM4E (0.42) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL8598313 0.77 SLC2A1 (0.49) HCAR3MAPTSMN1; SMN2MAPK1
SCHEMBL8598717 0.76 RAB9A (0.47) RAB9AKDM4EALDH1A1HCAR3KMT2A
SCHEMBL27504823 0.76 KMT2A (0.40) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL8601483 0.74 DHFR (0.47) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL8603465 0.74 DHFR (0.36) RAB9AKDM4EALDH1A1KMT2AMEN1
SCHEMBL8602040 0.73 KMT2A (0.42) RAB9AKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds AUCKLAND UNISERVICES LIMITED 2010-07-08 US disclosed
WO-2008030120-A1 A METHOD FOR THE FLUORESCENT DETECTION OF NITROREDUCTASE ACTIVITY USING NITRO-SUBSTITUTED AROMATIC COMPOUNDS AUCKLAND UNISERVICES LIMITED (NZ) 2008-03-13 WO disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP 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 (1 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-20100173332-A1 Method for the Fluorescent Detection of Nitroreductase Activity Using Nitro-Substituted Aromatic Compounds BLVRB, POR, CBR3 RAB9A 4526/4885KDM4E 2931/4885ALDH1A1 119/4885

“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.