SCHEMBL22801075

SCHEMBL22801075

CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccc(N4CCN(C(=O)O)CC4)c3)cs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 3/20 0.57
SCD O00767 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ALK Q9UM73 4/20 0.48
NAMPT P43490 1/20 0.48
RRM1 P23921 1/20 0.47
RRM2B Q7LG56 1/20 0.47
PARP1 P09874 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 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
SCHEMBL22801067 0.88 PHGDH (0.53) PHGDHSCDADORA3ALKKDM4E
SCHEMBL22801081 0.76 FBP1 (0.48) SCDKDM4EMEN1MAPTKMT2A
SCHEMBL22801049 0.74 SCD (0.51) SCDADORA3ALKRRM1RRM2B
SCHEMBL25295451 0.74 LMNA (0.57) PHGDHSCDADORA3KDM4EMEN1
SCHEMBL22801025 0.74 KDM4E (0.56) SCDADORA3RRM1RRM2BKDM4E
SCHEMBL22801093 0.73 KDM4E (0.52) PHGDHSCDADORA3ALKRRM1
SCHEMBL25769824 0.73 SCD (0.67) PHGDHSCDADORA3NAMPTPARP1
SCHEMBL24107788 0.72 PHGDH (0.71) PHGDHSCDADORA3PARP1KDM4E
SCHEMBL4741397 0.72 RAB9A (0.56) PHGDHSCDADORA3RRM1RRM2B
SCHEMBL4746841 0.72 ALDH1A1 (0.63) PHGDHSCDADORA3RRM1RRM2B

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 PHGDH 2570/4885SCD 4612/4885ADORA3 582/4885

“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.