Sugi Predict

Sugi Predict / Compounds / SCHEMBL13742

SCHEMBL13742

SCHEMBL13742

CC(C)(C)c1ccc(-c2cc3cn(-c4ccc(CNCCCN)cc4)c(=O)nc3[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 2/20 0.40
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ HDAC3 O15379 6/20 0.33
▸ HDAC4 P56524 6/20 0.33
▸ HDAC1 Q13547 6/20 0.33
▸ HDAC7 Q8WUI4 6/20 0.33
▸ HDAC2 Q92769 6/20 0.33
▸ HDAC10 Q969S8 6/20 0.33
▸ HDAC11 Q96DB2 6/20 0.33
▸ HDAC8 Q9BY41 6/20 0.33
▸ HDAC6 Q9UBN7 6/20 0.33
▸ HDAC9 Q9UKV0 6/20 0.33
▸ HDAC5 Q9UQL6 6/20 0.33
▸ MC4R P32245 1/20 0.33
▸ MC5R P33032 1/20 0.33
▸ MC3R P41968 1/20 0.33
▸ ERBB2 P04626 3/20 0.33
▸ KDR P35968 3/20 0.33

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
SCHEMBL14040 0.92 P2RY14 (0.35) CSF1RHDAC1HDAC11HDAC8MC4R
SCHEMBL13836 0.87 KIT (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14831 0.85 SCN8A (0.37) MC4RMC5RMC3RALDH1A1
SCHEMBL12061652 0.85 MC4R (0.37) EP300HDAC1MC4RMC5RMC3R
SCHEMBL14503 0.84 MC4R (0.35) MC4RMC5RMC3R
SCHEMBL14438 0.84 EGFR (0.37) CSF1RHDAC3HDAC4HDAC1HDAC7
SCHEMBL14456 0.83 MC4R (0.34) HDAC3HDAC1HDAC2MC4RMC5R
SCHEMBL14295 0.82 MC4R (0.36) EP300MC4RMC5RMC3R
SCHEMBL15787167 0.82 — —
SCHEMBL15787201 0.81 MC4R (0.39) MC4RMC5RMC3REGFRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 — — EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — US disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — WO 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT EP300 2195/4885CA1 4175/4885CA2 3230/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT EP300 2195/4885CA1 4175/4885CA2 3230/4885

“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.