Sugi Predict

Sugi Predict / Compounds / SCHEMBL14540

SCHEMBL14540

SCHEMBL14540

CN(Cc1ccccc1)Cc1cc2cn(-c3ccc(CNCCCN)cc3)c(=O)nc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ MC4R P32245 1/20 0.36
▸ MC5R P33032 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ HASPIN Q8TF76 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ ACHE P22303 2/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL14287 0.89 MC4R (0.36) MC4RMC5RMC3R
SCHEMBL14388 0.88 TMEM97 (0.36) TMEM97SIGMAR1HASPINMEN1KMT2A
SCHEMBL12061576 0.87 MC4R (0.40) MC4RMC5RMC3RACHE
SCHEMBL12075420 0.84 MC4R (0.38) MC4RMC5RMC3RALDH1A1
SCHEMBL13822 0.83 MC4R (0.38) MC4RMC5RMC3R
SCHEMBL12075768 0.82 MC4R (0.38) MC4RMC5RMC3R
SCHEMBL13693 0.82 MC4R (0.40) MC4RMC5RMC3R
SCHEMBL14451 0.82 MC4R (0.36) MC4RMC5RMC3R
SCHEMBL14116 0.81 MC4R (0.35) MC4RMC5RMC3RLMNASMN1; SMN2
SCHEMBL15787201 0.80 MC4R (0.39) MC4RMC5RMC3RMEN1KMT2A

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 TMEM97 4630/4885SIGMAR1 3381/4885MC4R 2989/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT TMEM97 4630/4885SIGMAR1 3381/4885MC4R 2989/4885

“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.