SCHEMBL3689489

SCHEMBL3689489

O=C(c1nc2c(C(F)(F)F)cc(-c3ccco3)cn2c1Cl)N1CCN(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
ALDH1A1 P00352 7/20 0.51
LMNA P02545 6/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
TSHR P16473 4/20 0.49
NPSR1 Q6W5P4 4/20 0.49
USP2 O75604 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.47
ALOX15 P16050 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CASP1 P29466 1/20 0.47
HTT P42858 1/20 0.47
CASP7 P55210 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3690897 0.89 ALDH1A1 (0.46) MAPTALDH1A1LMNAPOLBTSHR
SCHEMBL3695353 0.88 ALDH1A1 (0.52) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3691007 0.86 ALDH1A1 (0.42) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL3689454 0.86 SCD5 (0.47) ALDH1A1TSHRHTTRAB9ASCD
SCHEMBL3696503 0.86 HDAC4 (0.44) MAPTALDH1A1LMNAKMT2APOLB
SCHEMBL3687507 0.84 SCD5 (0.53) ALDH1A1L3MBTL1RAB9ASCDSCD5
SCHEMBL1583694 0.84 KDM4E (0.41) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL3693859 0.84 P2RX7 (0.43) MAPTALDH1A1LMNAPOLBTSHR
SCHEMBL3690063 0.84 SCD5 (0.45) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL3690219 0.83 SCD5 (0.37) MAPTALDH1A1LMNAPOLBTSHR

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
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
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
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 MAPT 1692/4885ALDH1A1 1337/4885LMNA 1511/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 MAPT 1692/4885ALDH1A1 1337/4885LMNA 1511/4885

“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.