SCHEMBL21664705

SCHEMBL21664705

O=c1[nH]cc(N2C(=S)c3ccccc3C2O)c(=O)n1O

nearest known ligand 0.41

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 1/20 0.35
▸ 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
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ FEN1 P39748 3/20 0.32
▸ CA12 O43570 1/20 0.31
▸ RNASEH1 O60930 1/20 0.31
▸ ERCC1 P07992 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
SCHEMBL21664557 0.79 MEN1 (0.41) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL23968140 0.75 ALDH1A1 (0.43) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL17197928 0.74 NR1H3 (0.40) MEN1KMT2AALDH1A1FEN1CA12
SCHEMBL24717884 0.71 POLB (0.41) MEN1KMT2AALDH1A1FEN1CA12
SCHEMBL17169690 0.65 NPC1 (0.49) MEN1KMT2ARAB9AALDH1A1HSD17B10
SCHEMBL20233657 0.60 MEN1 (0.52) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL9912528 0.60 ALDH1A1 (0.54) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL10038039 0.59 RAB9A (0.76) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL1535111 0.57 GAA (0.38) GAAFEN1CA12RNASEH1ERCC1
SCHEMBL26021318 0.56 RAB9A (0.41) MEN1KMT2AATMRAB9AALDH1A1

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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