SCHEMBL22461756

SCHEMBL22461756

CCN(CC)C(=O)Oc1ccccc1C(=O)Nc1cccc2cccnc12

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ RAB9A P51151 1/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ KDR P35968 4/20 0.58
▸ TP53 P04637 1/20 0.56
▸ POLB P06746 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL12044316 0.83 GRIN2D (0.57) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL28464450 0.83 MEN1 (1.00) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL30733225 0.83 MEN1 (1.00) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL1507696 0.77 MAPT (0.78) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL19748575 0.76 KDR (0.81) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL24239276 0.75 KMT2A (0.60) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL19422863 0.75 MAPT (1.00) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL29832141 0.75 MAPT (1.00) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL12172758 0.75 MAPT (0.75) KMT2AMEN1RAB9ASMN1; SMN2MAPT
SCHEMBL27782316 0.75 MAPT (0.71) KMT2AMEN1RAB9ASMN1; SMN2MAPT

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-20200299251-A1 FURAN SKELETON-CONTAINING IMINOGUANIDINE DERIVATIVE AS WELL AS PREPARATION AND APPLICATION THEREOF SUN YAT-SEN UNIVERSITY 2020-09-24 — — 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-20200299251-A1 FURAN SKELETON-CONTAINING IMINOGUANIDINE DERIVATIVE AS WELL AS PREPARATION AND APPLICATION THEREOF S100A9, IMPDH2, PNP KMT2A 4601/4885MEN1 2500/4885RAB9A 264/4885

“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.

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