SCHEMBL17085072

SCHEMBL17085072

CNC(=O)CCc1cc(-c2ccc(-c3ccc(C)cc3)cc2)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 3/20 0.50
ILK Q13418 1/20 0.49
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
MAPK1 P28482 3/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL17077237 0.91 ILK (0.62) MAPTPOLBILKMAPK1GAA
SCHEMBL17085051 0.89 ILK (0.51) MAPTALDH1A1POLBILKKMT2A
SCHEMBL17085071 0.88 ILK (0.54) ALDH1A1ILKGAARXRARXRB
SCHEMBL17085079 0.87 ILK (0.50) ALDH1A1POLBILKRXRARXRB
SCHEMBL17085081 0.84 ILK (0.49) MAPTPOLBILKRXRARXRB
SCHEMBL17085073 0.84 ILK (0.48) MAPTALDH1A1POLBILKRXRA
SCHEMBL17085085 0.84 ILK (0.48) POLBILKRXRARXRBRXRG
SCHEMBL23645914 0.84 ILK (0.54) MAPTPOLBILKRXRARXRB
SCHEMBL17085061 0.84 ILK (0.53) MAPTPOLBILKRXRARXRB
SCHEMBL17085050 0.83 EPHX2 (0.51) MAPTALDH1A1POLBILKGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9457031-B2 Antibacterial protein kinase inhibitors OHIO STATE INNOVATION FOUNDATION 2016-10-04 US disclosed
US-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS OHIO STATE INNOVATION FOUNDATION 2015-09-17 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-20150258100-A1 ANTIBACTERIAL PROTEIN KINASE INHIBITORS DMPK, MYLK3, MYLK2 MAPT 2537/4885ALDH1A1 4619/4885POLB 1129/4885

“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.