Sugi Predict

Sugi Predict / Compounds / SCHEMBL3496161

SCHEMBL3496161

SCHEMBL3496161

OCCCNc1nc2cc(-c3ccccc3C(F)(F)F)ccc2n2c(-c3ccn[nH]3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 4/20 0.40
▸ CHUK O15111 4/20 0.40
▸ TRPA1 O75762 2/20 0.38
▸ SCN5A Q14524 2/20 0.37
▸ SCN9A Q15858 2/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ CYP1A2 P05177 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2D6 P10635 4/20 0.36
▸ TSHR P16473 4/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ CLK4 Q9HAZ1 4/20 0.36
▸ USP2 O75604 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ CTSL P07711 1/20 0.35
▸ NR3C1 P04150 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
SCHEMBL3495414 0.85 IKBKB (0.41) IKBKBCHUKBRD4
SCHEMBL3498354 0.84 IKBKB (0.42) IKBKBCHUKTRPA1SCN5ASCN9A
SCHEMBL3495374 0.82 BRD4 (0.49) IKBKBCHUKNTRK1BRD4
SCHEMBL3496165 0.79 MAPK8 (0.45) IKBKBCHUKTRPA1SCN5ASCN9A
SCHEMBL3496373 0.76 IKBKB (0.42) IKBKBCHUKBRD4
SCHEMBL3495470 0.75 IKBKB (0.41) IKBKBCHUKTSHRALDH1A1BRD4
SCHEMBL3494405 0.75 FYN (0.46) IKBKBCHUKALDH1A1BRD4
SCHEMBL3496915 0.74 IKBKB (0.40) IKBKBCHUKBRD4
SCHEMBL3495203 0.73 BRD4 (0.37) IKBKBBRD4
SCHEMBL3495288 0.73 ABL1 (0.38) IKBKBCHUKCYP1A2CYP3A4ALDH1A1

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
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 — — US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 — — US disclosed
US-8513250-B2 Imidazolo-heteroaryl derivatives with antibacterial properties LABORATOIRE BIODIM (FR) 2013-08-20 — — US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 — — US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 — — US disclosed
US-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2010-05-27 — — US disclosed
EP-2155750-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES Mutabilis SA (FR) 2010-02-24 — — EP disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 — — WO disclosed
WO-2008117225-A2 NEW IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES MUTABILIS SA (FR) 2008-10-02 — — 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 (1 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-20100130489-A1 IMIDAZOLO-HETEROARYL DERIVATIVES WITH ANTIBACTERIAL PROPERTIES DLAT, DLST, DNTT IKBKB 945/4885CHUK 253/4885TRPA1 4664/4885

“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.