SCHEMBL21807609

SCHEMBL21807609

COc1ccc2c3c(oc2c1)C=NC(C(C)(C)C)C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 8/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
STAT1 P42224 1/20 0.39
EPHX2 P34913 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL21807606 1.00 KDM4E (0.43) KDM4EMAPTSMN1; SMN2MEN1USP2
SCHEMBL9899803 0.72 KDM4E (0.45) KDM4EMAPTSMN1; SMN2MEN1USP2
SCHEMBL21175952 0.69 ACHE (0.38)
SCHEMBL7097279 0.66 KDM4E (0.69) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL3144077 0.64 MAPT (0.52) KDM4EMAPTSMN1; SMN2MEN1USP2
SCHEMBL85996 0.63 MAOB (0.62) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL11790312 0.62 KDM4E (0.49) KDM4EMAPTSMN1; SMN2MEN1USP2
SCHEMBL13563997 0.61 KDM4E (0.62) KDM4EMAPTALDH1A1HPGDHSD17B10
Dehydrovariabilin SCHEMBL13657398 0.61 MAPT (1.00) KDM4EMAPTSMN1; SMN2MEN1USP2
Dehydrovariabilin SCHEMBL31368572 0.61 MAPT (1.00) KDM4EMAPTSMN1; SMN2MEN1USP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377450-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
EP-3852751-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS Enanta Pharmaceuticals, Inc. (US) 2021-07-28 EP disclosed
CN-112955142-A Functionalized heterocyclic compounds as antiviral agents 英安塔制药有限公司 2021-06-11 CN disclosed
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2021-04-22 US disclosed
US-10865211-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
WO-2020061435-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2020-03-26 WO disclosed
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-03-26 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 (4 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-11377450-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF KDM4E 1899/4885MAPT 4614/4885SMN1; SMN2 4669/4885
US-10865211-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF KDM4E 1899/4885MAPT 4614/4885SMN1; SMN2 4669/4885
US-20210115060-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF KDM4E 1899/4885MAPT 4614/4885SMN1; SMN2 4669/4885
US-20200095258-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF KDM4E 1899/4885MAPT 4614/4885SMN1; SMN2 4669/4885

“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.