SCHEMBL17007983

SCHEMBL17007983

C=CC[C@H](C)Oc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 2/20 0.36
AOC3 Q16853 1/20 0.36
MAPT P10636 3/20 0.34
FFAR4 Q5NUL3 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
MAOA P21397 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHODH Q02127 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32

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
SCHEMBL17007985 1.00 GAA (0.36) GAASMN1; SMN2MAOBAOC3MAPT
SCHEMBL18889915 0.81 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1SLC6A4
SCHEMBL24749681 0.75 MAPT (0.33) MAOBAOC3MAPTALDH1A1SLC6A4
SCHEMBL30829775 0.74 ALDH1A1 (0.47) GAASMN1; SMN2MAOBFFAR4ALDH1A1
SCHEMBL1020456 0.74 ALDH1A1 (0.47) GAASMN1; SMN2MAOBFFAR4ALDH1A1
SCHEMBL4633428 0.73 MTNR1A (0.46) SMN1; SMN2ALDH1A1SLC6A4MAOA
SCHEMBL17007988 0.72 DHODH (0.34) DHODH
SCHEMBL27203860 0.72 DHODH (0.34) DHODH
SCHEMBL29854727 0.72 DHODH (0.34) DHODH
SCHEMBL17007990 0.72 DHODH (0.34) DHODH

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
EP-3114129-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-01-11 EP disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
US-9409922-B2 Imidazopyridine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-08-09 US disclosed
WO-2015126751-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
WO-2015126751-A1 IMIDAZOPYRIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US disclosed
US-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US 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-20150232480-A1 Imidazopyridine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication EIF2AK2, MAVS, TYMP GAA 966/4885SMN1; SMN2 2620/4885MAOB 2777/4885

“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.