SCHEMBL21519402

SCHEMBL21519402

NC(=S)N/N=C/c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 1.00
▸ LMNA P02545 1/20 1.00
▸ POLB P06746 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.66
▸ MAOB P27338 1/20 0.60
▸ GAA P10253 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MAOA P21397 1/20 0.56

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
SCHEMBL28874964 0.84 LMNA (0.72) HTTLMNAKDM4EMAPT
SCHEMBL13779423 0.84 LMNA (0.72) HTTLMNAPOLBKDM4EMAPT
Hydrochloric Acid SCHEMBL5703006 0.83 LMNA (0.70) HTTLMNAPOLBKDM4EMAPT
Hydrochloric Acid SCHEMBL9618640 0.83 LMNA (0.70) HTTLMNAPOLBKDM4EMAPT
SCHEMBL28868030 0.80 KDM4E (1.00) LMNAPOLBKDM4EMAOBMAPT
SCHEMBL16224357 0.80 LMNA (0.67) HTTLMNAKDM4EMAPTNPSR1
Phenylthiosemicarbazone SCHEMBL674762 0.79 KDM4E (0.81) HTTLMNAPOLBKDM4EMAOB
Phenylthiosemicarbazone SCHEMBL674761 0.79 KDM4E (0.81) HTTLMNAPOLBKDM4EMAOB
SCHEMBL4122642 0.79 ESR1 (0.65) HTTLMNAKDM4EMAPTNPSR1
Hydrochloric Acid SCHEMBL17560774 0.79 LMNA (0.65) HTTLMNAKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 — — US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — 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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR HTT 766/4885LMNA 1901/4885POLB 4376/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR HTT 766/4885LMNA 1901/4885POLB 4376/4885

“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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