SCHEMBL19253769

SCHEMBL19253769

O=C(Nc1nc2cnc(C(F)(F)F)cc2s1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.63
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
ALDH1A1 P00352 5/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 6/20 0.59
TP53 P04637 3/20 0.58
TSHR P16473 2/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.48
THRB P10828 1/20 0.48
NR2F2 P24468 1/20 0.48
PAX8 Q06710 1/20 0.48
LRRK2 Q5S007 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
SCHEMBL19253774 0.89 LRRK2 (0.61) SCDRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL19253737 0.86 LRRK2 (0.44) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL19253738 0.86 MEN1 (0.45) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL19253695 0.83 NPC1 (0.59) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL19270375 0.83 SCD (0.67) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL19253710 0.83 RAB9A (0.47) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19253605 0.82 LRRK2 (0.63) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19253659 0.82 RAB9A (0.65) SCDRAB9ANPC1ALDH1A1MAPT
SCHEMBL19253641 0.81 NPC1 (0.48) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19253623 0.80 RAF1 (0.43) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 US disclosed
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-09-24 US disclosed
EP-3419981-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY Indiana University Research & Technology Corporation (US) 2019-01-02 EP disclosed
US-20180235943-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-08-23 US disclosed
US-9895358-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-02-20 US disclosed
US-9895358-B2 Combination therapies for treatment of spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-02-20 US disclosed
WO-2017147312-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-08-31 WO disclosed
WO-2017147312-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2017-08-31 WO disclosed
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-08-24 US disclosed
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-08-24 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-20180235943-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF SCD 1992/4885RAB9A 2194/4885NPC1 4242/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF SCD 1992/4885RAB9A 2194/4885NPC1 4242/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF SCD 1992/4885RAB9A 2194/4885NPC1 4242/4885

“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.