Sugi Predict

Sugi Predict / Compounds / SCHEMBL14156

SCHEMBL14156

SCHEMBL14156

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.37
▸ PDE3B Q13370 2/20 0.37
▸ PDE3A Q14432 2/20 0.37
▸ P2RY12 Q9H244 2/20 0.37
▸ XDH P47989 1/20 0.35
▸ SRC P12931 5/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ABL2 P42684 2/20 0.34
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 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 0.96 PDE3B (0.35) PDE3BPDE3AP2RY12SRCADORA2A
SCHEMBL12062075 0.96 PDE2A (0.35) PDE2APDE3BPDE3AP2RY12XDH
SCHEMBL14187 0.93 IKBKB (0.35) ADORA2AADORA2BHDAC3HDAC4HDAC1
SCHEMBL14166 0.93 DRD2 (0.36) ADORA2AADORA2B
SCHEMBL14038 0.92 GSK3B (0.37) ADORA2AADORA2B
SCHEMBL13944 0.89 HDAC3 (0.35) PDE3BPDE3AP2RY12ADORA2AADORA2B
SCHEMBL14136 0.88 PDE3B (0.40) PDE3BPDE3AP2RY12
SCHEMBL12062111 0.88 IKBKB (0.33) SRCADORA2AADORA2BHDAC3HDAC4
SCHEMBL14293 0.88 CHEK2 (0.42) SRCADORA2A
SCHEMBL14564 0.88 EGLN1 (0.36) PDE3BPDE3A

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 PDE2A 1621/4885PDE3B 1172/4885PDE3A 1110/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PDE2A 1621/4885PDE3B 1172/4885PDE3A 1110/4885

“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.