SCHEMBL21264516

SCHEMBL21264516

CCOC(=O)CCCc1c(C(=O)OCC)[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
MAPT P10636 8/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
NQO2 P16083 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTR6 P50406 2/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46

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
SCHEMBL21243737 0.88 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL6001705 0.87 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL29368058 0.86 ALDH1A1 (0.61) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL1345542 0.82 NPSR1 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL16733406 0.82 ALDH1A1 (0.71) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL1346372 0.81 NQO2 (0.48) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL4948906 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL21264527 0.78 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4893031 0.78 MAPT (0.71) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL29951458 0.78 ALOX15 (0.58) ALDH1A1MEN1KMT2APOLBPKM

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-11339189-B2 DNA primase and gyrase inhibitors B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2022-05-24 US disclosed
US-20190248836-A1 DNA PRIMASE AND GYRASE INHIBITORS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD., AT BEN-GURION UNIVERSITY (IL) 2019-08-15 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 (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-20190248836-A1 DNA PRIMASE AND GYRASE INHIBITORS TOP2A, TOP1, DNA2 ALDH1A1 2809/4885MEN1 3341/4885KMT2A 2617/4885
US-11339189-B2 DNA primase and gyrase inhibitors TOP2A, TOP1, DNA2 ALDH1A1 2809/4885MEN1 3341/4885KMT2A 2617/4885

“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.