SCHEMBL19253695

SCHEMBL19253695

O=C(Nc1nc2cnc(C(F)(F)F)cc2s1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
KDM4E B2RXH2 2/20 0.59
HTT P42858 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
LRRK2 Q5S007 4/20 0.58
MEN1 O00255 1/20 0.57
SCD O00767 1/20 0.57
KMT2A Q03164 1/20 0.57
TP53 P04637 2/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
ATM Q13315 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL19253605 0.90 LRRK2 (0.63) NPC1RAB9ALRRK2MEN1KMT2A
SCHEMBL19253774 0.89 LRRK2 (0.61) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL19253687 0.86 TAS1R3 (0.57) NPC1RAB9ALRRK2MEN1KMT2A
SCHEMBL19253737 0.85 LRRK2 (0.44) NPC1RAB9ALRRK2MEN1SCD
SCHEMBL19253738 0.84 MEN1 (0.45) NPC1RAB9ALRRK2MEN1SCD
SCHEMBL19270381 0.83 NPC1 (0.63) NPC1RAB9AKDM4EHTTNFKB1
SCHEMBL19253769 0.83 SCD (0.63) NPC1RAB9AKDM4EHTTLRRK2
SCHEMBL19253623 0.83 RAF1 (0.43) NPC1RAB9AHTTLRRK2POLB
SCHEMBL19253710 0.81 RAB9A (0.47) NPC1RAB9AKDM4EHTTLRRK2
SCHEMBL19253659 0.81 RAB9A (0.65) NPC1RAB9AKDM4EHTTMEN1

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 8 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
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
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 NPC1 4242/4885RAB9A 2194/4885KDM4E 1530/4885
US-10420753-B2 Combination therapies for treatment of spinal muscular atrophy SMN1; SMN2, MUSK, MYOF NPC1 4242/4885RAB9A 2194/4885KDM4E 1530/4885
US-20170239225-A1 COMBINATION THERAPIES FOR TREATMENT OF SPINAL MUSCULAR ATROPHY SMN1; SMN2, MUSK, MYOF NPC1 4242/4885RAB9A 2194/4885KDM4E 1530/4885

“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.