SCHEMBL22801048

SCHEMBL22801048

CC(=O)c1cc(-c2ccc(C#N)cc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
MMP3 P08254 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KAT6A Q92794 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HSD17B3 P37058 1/20 0.41
TRPA1 O75762 1/20 0.41
GAA P10253 1/20 0.41
GRM5 P41594 2/20 0.40
MMP2 P08253 1/20 0.40
WDR5 P61964 1/20 0.40
ACLY P53396 1/20 0.40
PTPN5 P54829 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 2/20 0.39

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
SCHEMBL7213897 0.86 GRM5 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AKAT6A
SCHEMBL4600875 0.78 ACLY (0.48) SMN1; SMN2MMP3ALDH1A1GAAMMP2
SCHEMBL14525311 0.78 HSD17B1 (0.42) KIF11MMP3ALDH1A1HSD17B3MMP2
SCHEMBL10244858 0.76 KMT2A (0.52) SMN1; SMN2ALDH1A1TRPA1GAAMAPT
SCHEMBL16534013 0.75 KIF11 (0.53) KIF11MMP3MMP2
SCHEMBL16991664 0.75 CHEK1 (0.48) SMN1; SMN2MMP3ALDH1A1MMP2ACLY
SCHEMBL14783967 0.73 ESR2 (0.50) MMP3KAT6AMMP2
SCHEMBL10058042 0.73 MAPT (0.66) KIF11SMN1; SMN2MMP3ALDH1A1MMP2
SCHEMBL22801127 0.73 ALDH1A1 (0.49) KIF11MMP3ALDH1A1CYP11B1CYP11B2
SCHEMBL17759335 0.73 GAA (0.44) KIF11SMN1; SMN2MMP3ALDH1A1GAA

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 KIF11 3238/4885SMN1; SMN2 1027/4885MMP3 3557/4885

“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.