SCHEMBL991197

SCHEMBL991197

Cc1ccccc1C(=[N+]=[N-])C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
HPGD P15428 2/20 0.47
MYC P01106 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 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
SCHEMBL18130355 0.82 NPC1 (0.42) ERCC5FEN1HPGDMYCALDH1A1
SCHEMBL28319862 0.79 NPC1 (0.44) ERCC5FEN1HPGDKDM4EALDH1A1
SCHEMBL18740870 0.78 STAT3 (0.50) HPGDALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL5046741 0.76 NR4A1 (0.58) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL28463115 0.75 HPGD (0.40) ERCC5FEN1HPGDKDM4EALDH1A1
SCHEMBL2162371 0.74 LMNA (0.50) ALDH1A1KMT2ACYP2C9CTNNB1WNT3A
SCHEMBL18740988 0.74 HCRTR1 (0.53) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL11299269 0.74 TSHR (0.41) ERCC5FEN1HPGDMYCKMT2A
SCHEMBL9711362 0.74 ERCC5 (0.57) ERCC5FEN1HPGDMYCKDM4E
SCHEMBL20564513 0.74 ERCC5 (0.57) ERCC5FEN1HPGDMYCKDM4E

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-6025502-A CATALYTICALLY REACTING AN ARYL HYDRAZONE SUBSTITUTED ACETATE ESTER WITH A NITROGEN HETEROCYCLIC COMPOUND WHICH HAS THE NITROGEN PROTECTED, THEN DEPROTECTING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-02-15 US claimed
US-20110009617-A1 Ruthenium Catalysts and Uses Thereof CHE CHI-MING 2011-01-13 US disclosed
US-6025502-A CATALYTICALLY REACTING AN ARYL HYDRAZONE SUBSTITUTED ACETATE ESTER WITH A NITROGEN HETEROCYCLIC COMPOUND WHICH HAS THE NITROGEN PROTECTED, THEN DEPROTECTING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2000-02-15 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-20110009617-A1 Ruthenium Catalysts and Uses Thereof CYCS, POR, CPNE4 ERCC5 4176/4885FEN1 4603/4885HPGD 2463/4885

“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.