SCHEMBL22589663

SCHEMBL22589663

COc1ccnc(/C(C)=N/NC(=S)N2CCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.65
▸ HKDC1 Q2TB90 3/20 0.50
▸ PHGDH O43175 6/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL22589664 1.00 HSP90AA1 (0.65) HSP90AA1HKDC1PHGDHALDH1A1GAA
SCHEMBL22589793 0.88 HSP90AA1 (0.58) HSP90AA1HKDC1ALDH1A1MITFHTT
SCHEMBL22589794 0.88 HSP90AA1 (0.58) HSP90AA1HKDC1ALDH1A1MITFHTT
SCHEMBL17975297 0.81 HSP90AA1 (0.65) HSP90AA1HKDC1PHGDHALDH1A1MITF
SCHEMBL22589669 0.80 HKDC1 (0.43) HSP90AA1HKDC1ALDH1A1GAALMNA
SCHEMBL9321800 0.79 HSP90AA1 (1.00) HSP90AA1HKDC1ALDH1A1MITFHTT
SCHEMBL26087734 0.79 HSP90AA1 (1.00) HSP90AA1HKDC1ALDH1A1MITFHTT
SCHEMBL17975335 0.79 HSP90AA1 (1.00) HSP90AA1HKDC1ALDH1A1MITFHTT
SCHEMBL29882936 0.79 HSP90AA1 (1.00) HSP90AA1HKDC1ALDH1A1MITFHTT
SCHEMBL24512361 0.78 HSP90AA1 (0.51) HSP90AA1HKDC1ALDH1A1GAALMNA

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-12344626-B2 Pharmaceutical compounds and therapeutic methods RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2025-07-01 — — US disclosed
US-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-06-16 — — US disclosed
US-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-06-16 — — US disclosed
WO-2020219587-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-10-29 — — WO 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-12344626-B2 Pharmaceutical compounds and therapeutic methods SLC30A5, SLC39A11, SLC30A7 HSP90AA1 2676/4885HKDC1 644/4885PHGDH 1918/4885
US-20220185827-A1 PHARMACEUTICAL COMPOUNDS AND THERAPEUTIC METHODS SLC30A5, SLC39A11, SLC30A7 HSP90AA1 2676/4885HKDC1 644/4885PHGDH 1918/4885

“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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