SCHEMBL14375

SCHEMBL14375

N=C(N)NCCCNCc1ccc(-n2cc3cc(C4CCCN(CCCF)C4)[nH]c3nc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 2/20 0.31
CCR3 P51677 2/20 0.31
ROCK2 O75116 1/20 0.31
CYP2C19 P33261 1/20 0.30

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
SCHEMBL14559 0.94 CCNT1 (0.35) CCNT1CDK9KDM4EALDH1A1CYP2D6
SCHEMBL14476 0.93 KDM4E (0.34) CCNT1CDK9KDM4EALDH1A1ROCK2
SCHEMBL13913 0.92 CCNT1 (0.36) CCNT1CDK9KDM4EALDH1A1CYP2D6
SCHEMBL12062309 0.91 CCNT1 (0.34) CCNT1CDK9KDM4EALDH1A1ROCK2
SCHEMBL14377 0.90 CCNT1 (0.34) CCNT1CDK9KDM4EALDH1A1CYP2D6
SCHEMBL14202 0.89 CYP1A2 (0.33) CCNT1CDK9CYP2D6CYP2C19
SCHEMBL14231 0.87 KIT (0.32)
SCHEMBL17946672 0.86 CASP3 (0.33) CDK9
SCHEMBL14454 0.86 ALDH1A1 (0.35) CCNT1CDK9KDM4EALDH1A1ROCK2
SCHEMBL17947097 0.86 CASP3 (0.33) CDK9

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 CCNT1 4284/4885CDK9 4762/4885KDM4E 4344/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CCNT1 4284/4885CDK9 4762/4885KDM4E 4344/4885

“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.