SCHEMBL21497451

SCHEMBL21497451

CC(C)(C)c1ccc2nc(CC(C)(C)c3ccc4ccoc4c3)oc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
USP2 O75604 1/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GFER P55789 1/20 0.32
HTR1B P28222 4/20 0.32
SCN10A Q9Y5Y9 3/20 0.31
ACLY P53396 1/20 0.31
AAK1 Q2M2I8 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2A6 P11509 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL22477757 0.80 MAPT (0.39) MAPTKDM4ENPC1RAB9AUSP2
SCHEMBL20939957 0.79 ADAM17 (0.38) KDM4ENPC1RAB9AHDAC6GFER
SCHEMBL2609996 0.78 HTR1B (0.41) MAPTKDM4ENPC1RAB9AHTR1B
SCHEMBL24366298 0.75 TRPV1 (0.39) NPC1RAB9AHDAC6CYP3A4CYP2C9
SCHEMBL22077192 0.74 KDM4E (0.35) MAPTKDM4ENPC1RAB9AUSP2
SCHEMBL11813893 0.74 MAPT (0.46) MAPTKDM4ENPC1RAB9AUSP2
SCHEMBL18590282 0.73 MAPT (0.53) MAPTKDM4ENPC1RAB9AUSP2
SCHEMBL25054111 0.72 NPC1 (0.47) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL26315667 0.70
SCHEMBL23479341 0.69 MEN1 (0.38) MAPTNPC1RAB9AGFERACLY

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-11738019-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2023-08-29 US disclosed
US-20210008057-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-01-14 US disclosed
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 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 (3 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-20210008057-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 MAPT 4638/4885KDM4E 1806/4885NPC1 641/4885
US-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD MAPT 3053/4885KDM4E 4280/4885NPC1 369/4885
US-11738019-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 MAPT 4638/4885KDM4E 1806/4885NPC1 641/4885

“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.