SCHEMBL22801049

SCHEMBL22801049

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

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.51
RRM1 P23921 2/20 0.51
RRM2B Q7LG56 2/20 0.51
ALK Q9UM73 6/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
F9 P00740 1/20 0.48
PARP1 P09874 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
SCHEMBL22801093 0.89 KDM4E (0.52) SCDRRM1RRM2BALKLMNA
SCHEMBL22801025 0.85 KDM4E (0.56) SCDRRM1RRM2BLMNASMN1; SMN2
SCHEMBL21241972 0.78 WNT3A (0.53) PARP1
SCHEMBL4746841 0.77 ALDH1A1 (0.63) SCDRRM1RRM2BLMNASMN1; SMN2
SCHEMBL22801061 0.76 SLC2A1 (0.48) LMNASMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL22971672 0.76 MRE11 (0.44) ALKMEN1KMT2A
SCHEMBL22290360 0.76 ABL1 (0.52) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL16607166 0.76 MAPT (0.70) SCDLMNASMN1; SMN2KDM4EMEN1
SCHEMBL31173247 0.76 ABL1 (0.52) SMN1; SMN2ALDH1A1MAPTHPGDHTT
SCHEMBL4741397 0.75 RAB9A (0.56) SCDRRM1RRM2BADORA3MEN1

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-20200399264-A1 4-SUBSTITUTED-2-THIAZOLE AMIDES AS ANTIVIRAL AGENTS NATIONAL INSTITUTES OF HEALTH 2020-12-24 US disclosed
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 SCD 4612/4885RRM1 3494/4885RRM2B 3848/4885

“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.