SCHEMBL21021028

SCHEMBL21021028

CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1nnc(S)n1-c1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MAPT P10636 2/20 0.51
▸ PKM P14618 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ THRB P10828 1/20 0.45

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
SCHEMBL19604867 0.82 HTT (0.62) TSHRSMN1; SMN2HPGDMAPTHTT
SCHEMBL14970814 0.74 SMN1; SMN2 (0.71) SMN1; SMN2HPGDMAPTLMNAALDH1A1
SCHEMBL17131918 0.72 KDM4E (0.50) TSHRSMN1; SMN2HPGDMAPTHTT
SCHEMBL14970841 0.72 THRB (0.68) SMN1; SMN2HPGDMAPTLMNAALDH1A1
SCHEMBL18559353 0.72 SMN1; SMN2 (1.00) TSHRSMN1; SMN2HPGDMAPTHTT
SCHEMBL17131975 0.67 HTT (0.53) TSHRSMN1; SMN2HPGDMAPTHTT
SCHEMBL14583724 0.64 TDP1 (0.49) HPGDMAPTLMNAALDH1A1KDM4E
SCHEMBL28504931 0.63 TLR8 (0.69) TSHRMAPTHTTLMNAALDH1A1
SCHEMBL20616717 0.63 KMT2A (0.57) TSHRSMN1; SMN2HPGDMAPTHTT
SCHEMBL4942865 0.62 ALDH1A1 (0.52) TSHRSMN1; SMN2HPGDMAPTPKM

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-20190151289-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) Histone Demethylase UNIV YALE (US) 2019-05-23 — — 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-20190151289-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) Histone Demethylase KDM1A, KDM1B, JMJD1C TSHR 4563/4885SMN1; SMN2 4161/4885HPGD 2548/4885

“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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