Sugi Predict

Sugi Predict / Compounds / SCHEMBL13924

SCHEMBL13924

SCHEMBL13924

N=C(N)NCCCNCc1ccc(-n2cc3cc(COc4ccccc4)[nH]c3nc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.34
▸ OPRM1 P35372 8/20 0.34
▸ OPRK1 P41145 8/20 0.34
▸ OPRL1 P41146 8/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ABL1 P00519 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ SRC P12931 2/20 0.33
▸ ABL2 P42684 2/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CSK P41240 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 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
SCHEMBL13693 0.88 MC4R (0.40) BCHEOPRM1OPRK1OPRL1ABL1
SCHEMBL12075212 0.85 OPRM1 (0.31) OPRM1OPRK1MEN1KMT2A
SCHEMBL14388 0.84 TMEM97 (0.36) BCHEOPRM1OPRK1ACHEALDH1A1
SCHEMBL14447 0.84 KIT (0.36) BCHEACHEABL1EGFRSRC
SCHEMBL14315402 0.83 PARP1 (0.31) BCHEACHE
SCHEMBL20082378 0.83 — —
SCHEMBL20019877 0.83 CCR6 (0.36) BCHESPHK2SPHK1ACHEALDH1A1
SCHEMBL12062184 0.82 ALDH1A1 (0.36) BCHEACHEEGFRALDH1A1
SCHEMBL12062115 0.82 SLC2A1 (0.31) —
SCHEMBL14145 0.82 MAPT (0.31) BCHEOPRM1OPRK1ACHEHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 BCHE 1327/4885SPHK2 2659/4885SPHK1 1834/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT BCHE 1327/4885SPHK2 2659/4885SPHK1 1834/4885

“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.