SCHEMBL8808

SCHEMBL8808

Nc1n[nH]c(-c2ccc(F)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.67
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 4/20 0.66
CYP1A2 P05177 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 3/20 0.53
GAA P10253 2/20 0.53
AOC3 Q16853 1/20 0.49
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
MAPK14 Q16539 2/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL8726601 0.83 ALPL (0.71) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL8729070 0.80 ALPL (0.67) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL21359662 0.80 ALPL (0.67) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL7819474 0.80 ALPL (1.00) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL18278863 0.80 HSD17B10 (0.56) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL8731546 0.80 KDM4E (0.92) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL5792174 0.80 ALPL (0.67) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL8726592 0.79 ALPL (0.61) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL18278744 0.79 ALPL (0.61) ALPLKDM4EALDH1A1CYP1A2MEN1
SCHEMBL27979613 0.79 NPC1 (0.62) ALPLKDM4EALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406613-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Melinta Therapeutics, Inc. (US) 2018-11-28 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
CN-104628729-A Antimicrobial compounds and methods of making and using the same RIB X PHARMACEUTICALS INC 2015-05-20 CN disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
EP-2488525-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2012-08-22 EP disclosed
WO-2011047319-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 WO disclosed
US-5750545-A EXHIBIT EOSINOPHIL-INHIBITORY ACTION AND LYMPHOCYTE ACTIVATION-INHIBITORY ACTION; USEFUL FOR TREATMENT OF IMMUNE-RELATED DISEASES THE GREEN CROSS CORPORATION (JP) 1998-05-12 US disclosed
EP-0710654-A1 TRIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-08 EP 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 ALPL 1279/4885KDM4E 4344/4885ALDH1A1 1117/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ALPL 1279/4885KDM4E 4344/4885ALDH1A1 1117/4885

“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.