SCHEMBL22677359

SCHEMBL22677359

COC(=O)c1cc(Cl)c(Cl)nc1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 2/20 0.42
NQO2 P16083 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL31343779 0.86 GAA (0.49) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL20298364 0.85 GAA (0.47) GAAKDM4EHPGDSMN1; SMN2TSHR
SCHEMBL23604250 0.85 GAA (0.54) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL25148646 0.85 GAA (0.43) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL30364696 0.85 GAA (0.43) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL22833387 0.84 GAA (0.49) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL20719772 0.83 KEAP1 (0.49) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL7395768 0.83 GAA (0.54) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL29069139 0.83 GAA (0.42) GAAHTTKDM4EHPGDSMN1; SMN2
SCHEMBL14741034 0.82 GAA (0.41) GAAHTTKDM4EHPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 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-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 GAA 1465/4885HTT 3134/4885KDM4E 412/4885

“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.