SCHEMBL729020

SCHEMBL729020

CCOC(=O)C(=O)c1c(C)[nH]c2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.59
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 4/20 0.57
RAB9A P51151 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MITF O75030 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 1/20 0.53
GAA P10253 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL10840435 0.85 ALDH1A1 (0.63) ALDH1A1KMT2ALMNAMAPTGAA
SCHEMBL28026406 0.85 NR4A2 (0.56) NR4A2ALDH1A1KMT2ARAB9ANPSR1
SCHEMBL4561758 0.84 NR4A2 (0.71) NR4A2ALDH1A1KMT2ARAB9ANPSR1
SCHEMBL2885446 0.84 NR4A2 (0.71) NR4A2ALDH1A1KMT2ARAB9ANPSR1
SCHEMBL16110074 0.84 TUBB4A (0.61) ALDH1A1MAPTGAAHSD17B10PKM
SCHEMBL728638 0.82 KDM4E (0.55) NR4A2ALDH1A1KMT2ARAB9ANPSR1
SCHEMBL1559343 0.79 NR4A2 (0.63) NR4A2ALDH1A1KMT2ARAB9ANPSR1
SCHEMBL17953088 0.79 GAA (0.73) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL19846945 0.78 KDM4E (0.58) NR4A2ALDH1A1KMT2ARAB9ANPSR1
SCHEMBL4218391 0.78 NR4A2 (0.61) NR4A2ALDH1A1KMT2ARAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943636-B2 1-substituted pyrazolo (3,4-C) ring compounds as modulators of cytokine biosynthesis for the treatment of viral infections and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-06-25 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-20090163533-A1 1-Substituted Pyrazolo (3,4-C) Ring Compounds as Modulators of Cytokine Biosynthesis for the Treatment of Viral Infections and Neoplastic Diseases IL2, IL4, IFNG NR4A2 462/4885ALDH1A1 876/4885KMT2A 4534/4885

“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.