SCHEMBL3385961

SCHEMBL3385961

O=C1c2ccc([N+](=O)[O-])cc2CN1CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
ACHE P22303 1/20 0.43
TDP2 O95551 1/20 0.43
MAPT P10636 2/20 0.42
ATM Q13315 1/20 0.42
PTPRC P08575 1/20 0.41
S100A4 P26447 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PRF1 P14222 1/20 0.41
PNMT P11086 2/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP4 P49662 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL1951253 0.83 CYP1A2 (0.46) ACHETDP2MAPTATMPTPRC
SCHEMBL28610596 0.83 PABPC1 (0.45) ACHETDP2MAPTPTPRCS100A4
SCHEMBL29606310 0.83 PABPC1 (0.45) ACHETDP2MAPTPTPRCS100A4
SCHEMBL3797765 0.80 MAPT (0.47) MAPTLMNARAB9AKMT2AKDM4E
SCHEMBL6440457 0.78 ADAM17 (0.47) PRF1KDM4EALOX15TSHRSIRT1
SCHEMBL1163008 0.78 CASP1 (0.49) ACHETDP2MAPTPTPRCS100A4
SCHEMBL25761826 0.77 KDM4E (0.51) ACHEMAPTPTPRCS100A4MEN1
SCHEMBL29370739 0.77 PARP1 (0.46) RAB9APRF1KDM4EALOX15TSHR
SCHEMBL3388515 0.77 KDM4E (0.51) MAPTMEN1LMNARAB9AKMT2A
SCHEMBL13432191 0.77 PRF1 (0.44) PRF1KDM4EALOX15TSHRSIRT1

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-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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 (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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 POLB 4178/4885ACHE 3606/4885TDP2 4833/4885

“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.