SCHEMBL19604867

SCHEMBL19604867

CCn1c(S)nnc1CNC(=O)c1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ GRK2 P25098 1/20 0.48
▸ GRK5 P34947 1/20 0.48
▸ GRK3 P35626 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL17131918 0.86 KDM4E (0.50) HTTSMN1; SMN2HPGDMAPTLMNA
SCHEMBL21021028 0.82 TSHR (0.56) HTTSMN1; SMN2HPGDMAPTLMNA
SCHEMBL17131975 0.78 HTT (0.53) HTTSMN1; SMN2HPGDMAPTLMNA
SCHEMBL14970814 0.74 SMN1; SMN2 (0.71) SMN1; SMN2HPGDMAPTLMNAATM
SCHEMBL1360195 0.71 HDAC8 (0.65) SMN1; SMN2HPGDLMNAPOLBATM
SCHEMBL29936927 0.70 CA1 (0.66) SMN1; SMN2HPGDMAPTLMNAPOLB
SCHEMBL842634 0.69 SMN1; SMN2 (0.81) HTTSMN1; SMN2HPGDMAPTTSHR
SCHEMBL10084687 0.69 NPC1 (0.73) HTTSMN1; SMN2HPGDLMNAPOLB
SCHEMBL11626709 0.69 GAA (0.76) HTTSMN1; SMN2HPGDMAPTLMNA
SCHEMBL1753828 0.69 L3MBTL1 (0.71) SMN1; SMN2MAPTLMNAPOLBATM

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-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
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
WO-2017197210-A1 IDENTIFICATION OF SMALL MOLECULE INHIBITORS OF JUMONJI AT-RICH INTERACTIVE DOMAIN 1A (JARID1A) HISTONE DEMETHYLASE YALE UNIVERSITY (US) 2017-11-16 — — WO 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 HTT 3714/4885SMN1; 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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