SCHEMBL19420115

SCHEMBL19420115

O=C(O)CCCCCN1C(=O)/C(=C/c2ccco2)SC1=S

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.92
▸ MEN1 O00255 9/20 0.92
▸ KMT2A Q03164 9/20 0.92
▸ POLB P06746 8/20 0.92
▸ ALDH1A1 P00352 6/20 0.92
▸ KDM4E B2RXH2 5/20 0.92
▸ RECQL P46063 5/20 0.92
▸ APEX1 P27695 4/20 0.92
▸ L3MBTL1 Q9Y468 4/20 0.92
▸ FFAR1 O14842 4/20 0.92
▸ TDP1 Q9NUW8 4/20 0.92
▸ MCL1 Q07820 2/20 0.71
▸ USP2 O75604 2/20 0.71
▸ NSD2 O96028 2/20 0.71
▸ GAA P10253 2/20 0.71
▸ ALPL P05186 1/20 0.71
▸ ATM Q13315 1/20 0.71
▸ LMNA P02545 6/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ HTT P42858 2/20 0.70

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
SCHEMBL3892665 1.00 MAPT (0.92) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3892662 1.00 MAPT (0.92) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3893459 0.96 MAPT (1.00) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3893463 0.96 MAPT (1.00) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3971531 0.91 KMT2A (0.87) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL3971529 0.91 KMT2A (0.87) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL29214838 0.89 MAPT (0.72) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL29214843 0.89 MAPT (0.72) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL10492218 0.84 POLB (0.75) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL13056337 0.84 POLB (0.75) MAPTMEN1KMT2APOLBALDH1A1

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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 — — 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 MAPT 1762/4885MEN1 3416/4885KMT2A 3471/4885

“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.

Send feedback