Sugi Predict

Sugi Predict / Compounds / SCHEMBL3700869

SCHEMBL3700869

SCHEMBL3700869

O=C(NCC1CCCCC1)c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ HDAC6 Q9UBN7 6/20 0.40
▸ SCD5 Q86SK9 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ HDAC3 O15379 2/20 0.39

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
SCHEMBL3700722 0.96 PKM (0.41) ALDH1A1MEN1KMT2ACNR2HDAC6
SCHEMBL7493610 0.93 CNR2 (0.43) CNR2PKMRXFP1CYP3A4CYP2C9
SCHEMBL3700188 0.89 HPGD (0.46) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL3705906 0.88 HPGD (0.48) ALDH1A1MEN1KMT2APKMKDM4E
SCHEMBL7490436 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APKMRXFP1
SCHEMBL3696233 0.83 PKM (0.49) ALDH1A1MEN1KMT2AHDAC6PKM
SCHEMBL3703771 0.82 SCD5 (0.47) MEN1KMT2ACNR2SCD5PKM
SCHEMBL3702560 0.81 ADORA2A (0.46) ALDH1A1MEN1KMT2ACNR2PKM
SCHEMBL7495068 0.81 PKM (0.46) ALDH1A1MEN1KMT2ACNR2SCD5
SCHEMBL3684339 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APKMRXFP1

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 6 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-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 ALDH1A1 1337/4885MEN1 4257/4885KMT2A 3145/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 ALDH1A1 1337/4885MEN1 4257/4885KMT2A 3145/4885

“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.