SCHEMBL20133846

SCHEMBL20133846

COC(=O)/C=N\Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TGM2 P21980 1/20 0.40

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
SCHEMBL27676492 1.00 MPO (0.48) MPOMEN1KMT2AMAPTL3MBTL1
SCHEMBL30720833 0.84 MAPT (0.51) MPOMEN1KMT2AMAPTMAPK1
SCHEMBL5451292 0.83 RAB9A (0.42) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL5451296 0.83 RAB9A (0.42) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL3923353 0.82 MEN1 (0.47) MPOMEN1KMT2AMAPTL3MBTL1
SCHEMBL3923354 0.82 MEN1 (0.47) MPOMEN1KMT2AMAPTL3MBTL1
SCHEMBL27266276 0.82 MAPT (0.48) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL23147541 0.81 ALDH1A1 (0.54) MPOMEN1KMT2AMAPTL3MBTL1
SCHEMBL15947014 0.80 MEN1 (0.49) MPOMEN1KMT2AMAPTLMNA
SCHEMBL15939088 0.80 MEN1 (0.49) MPOMEN1KMT2AMAPTLMNA

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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2018-05-10 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-20180125848-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 MPO 4613/4885MEN1 2114/4885KMT2A 720/4885

“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.