SCHEMBL3066355

SCHEMBL3066355

Nc1cc(C(F)(F)F)c2nc(C(=O)O)c(Cl)n2c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.32
KMT2A Q03164 2/20 0.32
KMO O15229 1/20 0.32
CFTR P13569 2/20 0.32
FAAH O00519 1/20 0.31
ASPH Q12797 1/20 0.31
XPO1 O14980 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 2/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1583259 0.86 KMT2A (0.42) EGLN1KMT2AKMOFAAHASPH
SCHEMBL1583236 0.85 EGLN1 (0.33) EGLN1KMT2AKMOASPHMAPT
SCHEMBL3691065 0.85 CFTR (0.40) CFTRMAPTPKMKDM4ESMN1; SMN2
SCHEMBL1583276 0.84 EPRS1 (0.35) EGLN1KMT2AKMOCFTRASPH
SCHEMBL13228924 0.82 EGLN1 (0.31) EGLN1KMT2AKMO
SCHEMBL3684234 0.81 RBP4 (0.35) EGLN1MAPT
SCHEMBL1583417 0.81 RXFP1 (0.36) EGLN1KMT2AFAAHMAPTPKM
SCHEMBL1583294 0.81 AKR1C3 (0.34) EGLN1KMT2AMAPTPKM
SCHEMBL3686175 0.81 RORC (0.34) EGLN1KMT2AKMOPKMMEN1
SCHEMBL3689623 0.81 LDHA (0.43) KMT2AKMOMAPTMEN1KDM4E

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
EP-2187883-A2 NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2010-05-26 EP 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 (3 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 EGLN1 369/4885KMT2A 3145/4885KMO 2804/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 EGLN1 369/4885KMT2A 3145/4885KMO 2804/4885
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 EGLN1 332/4885KMT2A 4584/4885KMO 4113/4885

“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.