SCHEMBL21664557

SCHEMBL21664557

O=c1[nH]cc(N2C(=S)c3ccccc3C2O)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ RAB9A P51151 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ NPC1 O15118 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ PKM P14618 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ DPYD Q12882 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL21664705 0.79 MEN1 (0.41) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL23664585 0.73 ALDH1A1 (0.40) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL24717955 0.73 MEN1 (0.37) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL21477111 0.72 MAPT (0.35) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL17169686 0.71 PKM (0.44) MEN1KMT2AALDH1A1MAPTKDM4C
SCHEMBL20128635 0.68 SMN1; SMN2 (0.49) KMT2ARAB9AALDH1A1MAPTKDM4C
SCHEMBL17162074 0.67 PKM (0.51) ALDH1A1MAPTKDM4CSMN1; SMN2PKM
SCHEMBL30432561 0.67 PKM (0.51) ALDH1A1MAPTKDM4CSMN1; SMN2PKM
SCHEMBL20231586 0.67 MAPT (0.35) MAPTKDM4CGAA
SCHEMBL7598686 0.64 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 — — 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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN MEN1 2669/4885KMT2A 2044/4885ATM 373/4885

“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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