Sugi Predict

Sugi Predict / Compounds / SCHEMBL7495089

SCHEMBL7495089

SCHEMBL7495089

CC(NC(=O)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 8/20 0.38
▸ HPGD P15428 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ CYP2C8 P10632 2/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ SCD5 Q86SK9 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ ALOX15 P16050 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
SCHEMBL3690516 0.90 KDM4E (0.38) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL3690130 0.89 TACR3 (0.40) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL3694041 0.87 ALDH1A1 (0.38) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL7490341 0.84 CCR2 (0.41) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL7494531 0.83 NPSR1 (0.46) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL3698746 0.83 ALDH1A1 (0.40) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL7490618 0.81 NPC1 (0.40) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL3699239 0.80 LMNA (0.41) KDM4EALDH1A1TSHRRAB9ALMNA
SCHEMBL1583743 0.79 CFTR (0.53) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL1583694 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
WO-2009023179-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2009-02-19 — — 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 KDM4E 2131/4885ALDH1A1 1337/4885HPGD 446/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 KDM4E 2131/4885ALDH1A1 1337/4885HPGD 446/4885

“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.