SCHEMBL22801093

SCHEMBL22801093

CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccc(-c4ccc(CNC(=O)O)cc4)c3)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SCD O00767 3/20 0.50
RRM1 P23921 1/20 0.50
RRM2B Q7LG56 1/20 0.50
ADORA3 P0DMS8 1/20 0.49
ALK Q9UM73 3/20 0.49
PHGDH O43175 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL22801049 0.89 SCD (0.51) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL22801025 0.82 KDM4E (0.56) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL14102317 0.80 MEN1 (0.49) MEN1ALDH1A1LMNAMAPTHPGD
SCHEMBL22971510 0.77 ROCK1 (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL22801046 0.77 HRH2 (0.58) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL23674562 0.75 SCD (0.84) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL4746841 0.74 ALDH1A1 (0.63) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL4741397 0.74 RAB9A (0.56) MEN1MAPTKMT2ASCDRRM1
SCHEMBL14046120 0.74 CHRNB2 (0.53) MEN1ALDH1A1LMNAMAPTPKM
SCHEMBL22801075 0.73 PHGDH (0.57) KDM4EMEN1MAPTKMT2ASCD

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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS MAVS, ZC3HAV1, EIF2AK2 KDM4E 453/4885MEN1 3515/4885ALDH1A1 384/4885

“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.