Sugi Predict

Sugi Predict / Compounds / SCHEMBL14364

SCHEMBL14364

SCHEMBL14364

NCCCN(CCCN)Cc1ccc(-n2cc3cc(-c4ccc(C(=O)NC5CCOCC5)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.40
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CSF1R P07333 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ATR Q13535 2/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ SMYD3 Q9H7B4 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ FGFR1 P11362 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
SCHEMBL13982 0.92 RIPK1 (0.42) RIPK1KDM4EBRD4SMYD3TGFBR1
SCHEMBL13865 0.92 RIPK1 (0.40) RIPK1HDAC4HDAC6FLT3SMYD3
SCHEMBL14320 0.91 RIPK1 (0.42) RIPK1ATRNPC1RAB9ASMN1; SMN2
SCHEMBL12061506 0.91 RIPK1 (0.39) RIPK1HDAC4HDAC6ATRFLT3
SCHEMBL12061503 0.88 MEN1 (0.38) RIPK1KMT2A
SCHEMBL14057 0.86 RIPK1 (0.36) RIPK1HDAC4HDAC6SMYD3MAPK14
SCHEMBL12061498 0.85 CHRNA7 (0.38) KMT2A
SCHEMBL12075844 0.84 CHUK (0.45) RIPK1PARP1
SCHEMBL13764 0.84 CHUK (0.37) RIPK1CSF1R
SCHEMBL12061490 0.82 RIPK1 (0.39) RIPK1CSF1R

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 RIPK1 2895/4885HDAC4 2407/4885HDAC6 1089/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RIPK1 2895/4885HDAC4 2407/4885HDAC6 1089/4885

“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.