SCHEMBL424346

SCHEMBL424346

O=C(Nc1ccc(Cl)cc1)n1nnc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.63
GLA P06280 1/20 0.54
THRB P10828 1/20 0.54
KMT2A Q03164 2/20 0.51
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 7/20 0.50
MGAM O43451 6/20 0.50
AMY1A P0DUB6 6/20 0.50
SI P14410 6/20 0.50
MGAM2 Q2M2H8 6/20 0.50
F2 P00734 1/20 0.50
HPGD P15428 1/20 0.50
SLC9A1 P19634 1/20 0.50
ASAH1 Q13510 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TAS1R3 Q7RTX0 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
SCHEMBL426720 0.88 GAA (0.59) F12KMT2AFAAHMGLLMEN1
SCHEMBL7196792 0.87 RPS6KA3 (0.54) F12KMT2AMGLLMEN1ALDH1A1
SCHEMBL7901101 0.86 RAB9A (0.62) F12KMT2AMEN1ALDH1A1GAA
SCHEMBL425448 0.86 GAA (0.54) F12KMT2AFAAHMGLLMEN1
SCHEMBL425439 0.82 MGLL (0.53) F12KMT2AFAAHMGLLMEN1
SCHEMBL425567 0.82 F12 (0.66) F12KMT2AFAAHMGLLMEN1
SCHEMBL12648516 0.80 F12 (0.59) F12GLATHRBKMT2AFAAH
SCHEMBL29479884 0.78 F12 (1.00) F12GLATHRBKMT2AALDH1A1
SCHEMBL2494940 0.78 F12 (1.00) F12GLATHRBKMT2AALDH1A1
SCHEMBL13182368 0.77 RAB9A (0.77) THRBKMT2AMGLLMEN1ALDH1A1

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 F12 785/4885GLA 901/4885THRB 3360/4885

“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.