SCHEMBL9917049

SCHEMBL9917049

CCC(=O)NC(C(C)=O)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.50
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ FNTA P49354 1/20 0.32
▸ FNTB P49356 1/20 0.32
▸ PSMB5 P28074 1/20 0.32
▸ FFAR3 O14843 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ NR4A1 P22736 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ FAAH O00519 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL31501278 0.88 CYP2C9 (0.45) CYP2C9MEN1KMT2AALDH1A1TDP1
SCHEMBL3027896 0.83 CYP2C9 (0.41) CYP2C9KMT2AALDH1A1POLBLMNA
SCHEMBL11001077 0.80 HDAC3 (0.48) MEN1KMT2AFNTAFNTBPSMB5
SCHEMBL13402414 0.77 CYP2C9 (0.48) CYP2C9MEN1KMT2AALDH1A1TDP1
SCHEMBL10001823 0.77 CYP2C9 (0.48) CYP2C9MEN1KMT2AALDH1A1TDP1
SCHEMBL18164083 0.77 CYP2C9 (0.48) CYP2C9MEN1KMT2AALDH1A1TDP1
SCHEMBL16644753 0.75 CYP2C9 (0.46) CYP2C9MEN1KMT2AALDH1A1TDP1
SCHEMBL8247706 0.75 CYP2C9 (0.46) CYP2C9MEN1KMT2AALDH1A1TDP1
SCHEMBL16628179 0.75 CYP2C9 (0.46) CYP2C9MEN1KMT2AALDH1A1TDP1
SCHEMBL18483161 0.75 CYP2C9 (0.46) CYP2C9MEN1KMT2AALDH1A1TDP1

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-20120149710-A1 SORTASE A INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-06-14 — — US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 — — US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 — — 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 (2 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-20120149710-A1 SORTASE A INHIBITORS STS, ENGASE, SPR CYP2C9 1965/4885MEN1 3994/4885KMT2A 3208/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 CYP2C9 4575/4885MEN1 2423/4885KMT2A 418/4885

“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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