SCHEMBL24512426

SCHEMBL24512426

COCCOc1ccnc(/C(C)=N/NC(=S)SC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ HKDC1 Q2TB90 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TOP2A P11388 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29743153 1.00 HSP90AA1 (0.46) HSP90AA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL24512361 0.87 HSP90AA1 (0.51) HSP90AA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29743152 0.87 HSP90AA1 (0.51) HSP90AA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22589679 0.86 TOP2A (0.38) HSP90AA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22589662 0.84 HSP90AA1 (0.38) HSP90AA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29489544 0.83 HSP90AA1 (0.44) HSP90AA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29743151 0.80 NPC1 (0.46) HSP90AA1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22589793 0.80 HSP90AA1 (0.58) HSP90AA1ALDH1A1KDM4EOPRK1HKDC1
SCHEMBL22589794 0.80 HSP90AA1 (0.58) HSP90AA1ALDH1A1KDM4EOPRK1HKDC1
SCHEMBL24512360 0.73 HSP90AA1 (0.41) HSP90AA1ALDH1A1MEN1KMT2AKDM4E

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-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-06-16 — — 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-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS SLC30A5, SLC39A11, SLC30A7 HSP90AA1 2676/4885ALDH1A1 2006/4885MEN1 364/4885

“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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