SCHEMBL3577828

SCHEMBL3577828

Cc1ccc2cccc(NC(=O)C3(O)CCCCC3NC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX12 P18054 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 4/20 0.39
THRB P10828 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3574051 0.89 MTNR1A (0.39) KCNH2
SCHEMBL3576655 0.88 MEN1 (0.34) MAPTKCNH2ALDH1A1MEN1KMT2A
SCHEMBL3581356 0.87 ADAM17 (0.34) KCNH2
SCHEMBL3581635 0.85 ADAM17 (0.36) KCNH2
SCHEMBL3580109 0.79 TYK2 (0.33) ALDH1A1POLB
SCHEMBL3587625 0.78 CD274 (0.33) KMT2A
SCHEMBL30471577 0.77 MAPT (0.57) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL7748081 0.77 MAPT (0.57) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL3571180 0.76 PLAU (0.53) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL3583797 0.72 JAK1 (0.35) MAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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 (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-20060189604-A1 Compounds ELANE, PIGS, SDHA MAPT 4179/4885KCNH2 2854/4885ALDH1A1 2290/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS MAPT 4602/4885KCNH2 3731/4885ALDH1A1 2504/4885

“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.