SCHEMBL717286

SCHEMBL717286

CCCCCCC(=O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
PYGL P06737 5/20 0.54
ALOX15 P16050 6/20 0.52
HRH4 Q9H3N8 3/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
IDO1 P14902 1/20 0.50
FLT3 P36888 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
HRH1 P35367 1/20 0.48

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
SCHEMBL24019647 0.83 F7 (0.66) F7F3PYGLALOX15HRH4
SCHEMBL9040655 0.81 ALOX15 (0.80) PYGLALOX15HRH4HRH3
SCHEMBL4454538 0.80 DRD2 (0.62) HRH4IDO1FLT3
SCHEMBL22529428 0.78 FLT3 (0.52) PYGLHRH4KMT2AMEN1NPC1
SCHEMBL24196566 0.78 KDM4E (0.59) HRH4IDO1FLT3
SCHEMBL11888230 0.77 PYGL (0.55) PYGLALOX15HRH4HRH3
SCHEMBL18357507 0.76 FLT3 (0.60) F7F3PYGLHRH4KMT2A
SCHEMBL2729831 0.75 F7 (0.72) F7F3PYGLHRH4KMT2A
SCHEMBL23112798 0.74 HSD17B3 (0.55) NPC1RAB9A
SCHEMBL29766264 0.74 HSD17B3 (0.55) NPC1RAB9A

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP F7 2480/4885F3 2398/4885PYGL 1009/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP F7 2480/4885F3 2398/4885PYGL 1009/4885
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R F7 4483/4885F3 3303/4885PYGL 195/4885

“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.