SCHEMBL19000596

SCHEMBL19000596

CCCCCCCNC(=O)c1cc(-c2cccs2)on1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.71
LMNA P02545 7/20 0.71
HPGD P15428 3/20 0.71
NPC1 O15118 9/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
KDM4E B2RXH2 3/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TSHR P16473 1/20 0.60
MAPT P10636 3/20 0.60
TP53 P04637 6/20 0.59
ALDH1A1 P00352 4/20 0.59
PLEC Q15149 1/20 0.58
THRB P10828 1/20 0.58
ESR1 P03372 1/20 0.58
HTT P42858 2/20 0.56

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
SCHEMBL4283431 0.95 RAB9A (0.74) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL9911633 0.90 RAB9A (0.70) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL9911627 0.90 RAB9A (0.70) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL4281968 0.90 RAB9A (0.77) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL17788442 0.89 RAB9A (0.72) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL24305318 0.88 RAB9A (0.83) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL20507246 0.88 RAB9A (0.67) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL9911628 0.88 RAB9A (0.73) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL9911641 0.87 RAB9A (0.67) RAB9ALMNAHPGDNPC1SMN1; SMN2
SCHEMBL9911620 0.87 RAB9A (0.73) RAB9ALMNAHPGDNPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170172987-A1 ISOXAZOLE TREATMENTS FOR FRONTOTEMPORAL DEMENTIA THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-06-22 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-20170172987-A1 ISOXAZOLE TREATMENTS FOR FRONTOTEMPORAL DEMENTIA GRN, PSEN1, PSEN2 RAB9A 4377/4885LMNA 753/4885HPGD 327/4885

“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.