SCHEMBL10275556

SCHEMBL10275556

Cc1nn2c(=O)c([N+](=O)[O-])c(-c3ccc(C(=O)O)cc3)[nH]c2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
PSD A5PKW4 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ARF6 P62330 3/20 0.36
MARS1 P56192 3/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
POLB P06746 2/20 0.35
CHEK2 O96017 1/20 0.34
CRHR1 P34998 2/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL10275365 0.90 HCRTR1 (0.41) PSDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10275846 0.86 PSD (0.40) PSDARF6CRHR1HTT
SCHEMBL10276012 0.83 MAPT (0.42) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL10275795 0.82 ARF6 (0.31) ARF6
SCHEMBL10313593 0.74 MAPT (0.41) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL10313494 0.73 HPRT1 (0.41) NPC1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL10276296 0.72 PSD (0.52) PSDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10275796 0.72 CYP3A4 (0.41) KDM4EARF6HPGDCRHR1MAPT
SCHEMBL10276006 0.72 ARF6 (0.40) ARF6MARS1CRHR1HTT
SCHEMBL10275883 0.71 CRHR1 (0.43) NPC1RAB9AKDM4EARF6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 US 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 SRD5A2 221/4885PSD 591/4885NPC1 1381/4885

“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.