SCHEMBL10159567

SCHEMBL10159567

N#C[C@@H](F)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
TRPA1 O75762 1/20 0.52
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PBRM1 Q86U86 1/20 0.35
MAP2K1 Q02750 1/20 0.35
ALPG P10696 1/20 0.35
ACSS2 Q9NR19 1/20 0.35

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
SCHEMBL1323137 1.00 TSHR (0.52) TSHRTRPA1ALDH1A1LMNAHPGD
Ammonia Solution, Strong SCHEMBL28307652 0.97 TSHR (0.50) TSHRTRPA1ALDH1A1LMNAHPGD
SCHEMBL29261466 0.86 CHRNB2 (0.42) TSHRTRPA1ALDH1A1
SCHEMBL7958219 0.77 LMNA (0.47) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL3984010 0.75 CHRNA7 (0.44) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL444030 0.75 TSHR (0.46) TSHRALDH1A1LMNAHPGDHTT
SCHEMBL27961334 0.75 CYP2A6 (0.38) TRPA1ALDH1A1HPGDSMN1; SMN2
SCHEMBL19946014 0.75 ESR1 (0.60) ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL4339266 0.75 SLC6A2 (0.39) TSHRALDH1A1LMNASMN1; SMN2DPP4
SCHEMBL3556521 0.75 HDAC4 (0.42) TSHRTRPA1

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-3144299-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Cambria Pharmaceuticals, Inc. (US) 2017-03-22 EP disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
US-9499494-B2 Pyrimidine-2,4,6-triones for use in the treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2016-11-22 US disclosed
EP-2427438-B1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS INC (US) 2016-10-12 EP disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
US-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS DISTRIBUTING TRUST 2015-07-23 US disclosed
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NORTHWESTERN UNIVERSITY (US) 2012-02-23 US disclosed
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NORTHWESTERN UNIVERSITY (US) 2012-02-23 US disclosed
WO-2010129665-A2 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2010-11-11 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-20150203456-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 TSHR 4741/4885TRPA1 2289/4885ALDH1A1 3417/4885
US-20120046309-A1 PYRIMIDINE-2,4,6-TRIONES FOR USE IN THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS NUDT1, TYMP, HPRT1 TSHR 4741/4885TRPA1 2289/4885ALDH1A1 3417/4885

“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.