SCHEMBL14058

SCHEMBL14058

NCCCCCN1CCC(n2cc3cc(-c4ccc(F)cc4)[nH]c3nc2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.38
HRH4 Q9H3N8 4/20 0.38
CHRM2 P08172 4/20 0.37
CHRM1 P11229 4/20 0.37
CHRM3 P20309 4/20 0.37
CHRNA3 P32297 1/20 0.36
ULK1 O75385 1/20 0.36
TNKS O95271 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL12061562 0.99 KIT (0.39) KITHRH4CHRM2CHRM1CHRM3
SCHEMBL14308 0.78 PARP1 (0.39) KITHRH4CHRNA3ULK1TNKS
SCHEMBL13994 0.76 PARP1 (0.39) KITHRH4CHRNA3ULK1TNKS
SCHEMBL14027 0.74 HRH4 (0.45) KITHRH4ULK1
SCHEMBL12061561 0.72 SLC6A4 (0.43) CHRM1CHRM3
SCHEMBL17484485 0.72 SLC6A4 (0.43) CHRM1CHRM3
SCHEMBL13587 0.70 DRD4 (0.35) HRH4CHRM2CHRM1CHRM3CHRNA3
SCHEMBL13886 0.69 ADORA2A (0.49) KITHRH4TNKS
SCHEMBL14077 0.67 SLC6A4 (0.47) CHRM1CHRM3
SCHEMBL14296 0.65 KIT (0.35) KITHRH4TNKSEGFR

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 KIT 3949/4885HRH4 3383/4885CHRM2 4820/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KIT 3949/4885HRH4 3383/4885CHRM2 4820/4885

“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.