SCHEMBL6041208

SCHEMBL6041208

CN(C)C(=O)c1ccc[c]c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KEAP1 Q14145 1/20 0.40
ALDH1A1 P00352 5/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CXCR2 P25025 2/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL9900208 0.81 TSHR (0.46) KEAP1ALDH1A1MAPTHPGDTP53
SCHEMBL4024749 0.79 KMT2A (0.46) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL4281712 0.79 KMT2A (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3093108 0.76 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL3980872 0.75 KDM4E (0.43) KEAP1ALDH1A1MAPTHPGDKDM4E
SCHEMBL28820113 0.74 GAA (0.56) MEN1KMT2AALDH1A1GAAPOLB
SCHEMBL18705835 0.74 POLB (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL16951611 0.74 TSHR (0.48) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL8314986 0.74 MEN1 (0.45) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL188296 0.73 MEN1 (0.65) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1

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-10183009-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-01-22 US disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. 2006-03-09 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-10183009-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 MEN1 638/4885KMT2A 126/4885SMN1; SMN2 1340/4885
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 MEN1 638/4885KMT2A 126/4885SMN1; SMN2 1340/4885
US-20060052361-A1 Nitrogen-containing fused ring compound and use thereof as HIV integrase inhibitor NNMT, PNP, DNTT MEN1 3959/4885KMT2A 655/4885SMN1; SMN2 2501/4885

“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.