Sugi Predict

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SCHEMBL14166

SCHEMBL14166

NCc1ccc(-n2cc3cc(-c4cccc(OCCF)c4)[nH]c3nc2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CSF1R P07333 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ CHRNB2 P17787 3/20 0.33
▸ CHRNB4 P30926 3/20 0.33
▸ CHRNA3 P32297 3/20 0.33
▸ CHRNA7 P36544 3/20 0.33
▸ CHRNA4 P43681 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33

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
SCHEMBL13916 0.94 PDE3B (0.35) CSF1RFGFR2FGFR3ADORA2AADORA2B
SCHEMBL14187 0.93 IKBKB (0.35) GSK3BCSF1RFGFR2FGFR3CDC7
SCHEMBL14038 0.93 GSK3B (0.37) GSK3BCSF1RFGFR2FGFR3CDC7
SCHEMBL14156 0.93 PDE2A (0.37) ADORA2AADORA2B
SCHEMBL13944 0.89 HDAC3 (0.35) CDC7ADORA2AADORA2B
SCHEMBL14409 0.89 PDE3B (0.39) CSF1RFGFR2FGFR3ADORA2AADORA2B
SCHEMBL14376 0.89 EGLN1 (0.37) DRD2DRD4DRD3ADORA2AADORA2B
SCHEMBL12062075 0.89 PDE2A (0.35) ADORA2AADORA2B
SCHEMBL14136 0.88 PDE3B (0.40) CSF1RCDC7
SCHEMBL14433 0.88 CSF1R (0.39) GSK3BGSK3ACSF1R

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 DRD2 2468/4885DRD4 1455/4885DRD3 1527/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT DRD2 2468/4885DRD4 1455/4885DRD3 1527/4885

“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.