SCHEMBL22651744

SCHEMBL22651744

CCCCCCCCCCCCN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1O)c64)C(=O)N(c1nnc(S)s1)C5=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ POLB P06746 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ STAT3 P40763 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ GBA1 P04062 1/20 0.30

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
SCHEMBL18379120 0.83 STAT3 (0.45) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL22651728 0.82 KDM4E (0.36) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL20392828 0.80 STAT3 (0.48) KDM4EALDH1A1POLBALOX15KMT2A
SCHEMBL22651727 0.79 STAT3 (0.41) KDM4EALDH1A1POLBALOX15KMT2A
SCHEMBL23987286 0.76 HEXA (0.44) KDM4EALDH1A1POLBALOX15KMT2A
SCHEMBL22651653 0.75 STAT3 (0.37) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL22651696 0.74 KDM4E (0.36) KDM4EALDH1A1POLBALOX15NPC1
SCHEMBL22651631 0.74 ALDH1A1 (0.41) KDM4EALDH1A1POLBALOX15KMT2A
SCHEMBL22651619 0.74 ESR1 (0.46) KDM4EALDH1A1HPGDPOLBALOX15
SCHEMBL22651617 0.74 ALDH1A1 (0.41) KDM4EALDH1A1POLBALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES UNIVERSITY OF UTAH 2020-11-12 — — 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-20200354356-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES NCS1, DAXX, CNDP2 KDM4E 4154/4885ALDH1A1 151/4885HPGD 3636/4885

“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.

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