SCHEMBL21786995

SCHEMBL21786995

CCNC(=O)c1ccc(/N=N/c2cc(CCNC(=O)C(C)C)ccc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ESRRG P62508 8/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
NME4 O00746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
ADORA2A P29274 1/20 0.40
AVPR2 P30518 1/20 0.40
AGTR1 P30556 1/20 0.40
SLC6A4 P31645 1/20 0.40
AVPR1A P37288 1/20 0.40
HTR3A P46098 1/20 0.40
GCDH Q92947 1/20 0.40
SLC29A1 Q99808 1/20 0.40
SIRT5 Q9NXA8 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
SCHEMBL23346372 0.84 BACE1 (0.44) HTTESRRGCA1CA2CA7
SCHEMBL26156198 0.81 CA1 (0.41) HTTESRRGCA1CA2CA7
SCHEMBL24346426 0.78 HTT (0.46) HTTESRRGCA1CA2CA7
SCHEMBL26324657 0.74 HPGD (0.49) HTTCA1CA2CA7CA9
SCHEMBL13523477 0.74 CA1 (0.46) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL17320175 0.73 CA1 (0.52) HTTCA1CA2TDP1KMT2A
SCHEMBL21307596 0.73 ESRRG (0.38) HTTESRRGCA1CA2CA7
SCHEMBL9965254 0.73 ERCC1 (0.71) HTTCA1CA2CA7CA9
SCHEMBL21307568 0.72 HTT (0.38) HTTESRRGCA1CA2CA7
SCHEMBL2414250 0.71 HDAC8 (0.60) ESRRGESRRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-26 US disclosed
US-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-03-05 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 (2 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-20200069717-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, RNGTT HTT 1027/4885ESRRG 3415/4885CA1 4558/4885
US-20230028321-A1 NUCLEOTIDE DERIVATIVES AND METHODS OF USE THEREOF POLRMT, NSUN2, NUDT1 HTT 978/4885ESRRG 3369/4885CA1 4662/4885

“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.