SCHEMBL23220397

SCHEMBL23220397

CCCCNC(=S)N1CCC(c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.57
RAB9A P51151 9/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 2/20 0.54
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.49
STAT1 P42224 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
SCHEMBL23220400 0.92 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL23220399 0.87 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL20005706 0.81 RAB9A (0.55) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL23951675 0.80 KMT2A (0.67) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL19995523 0.79 RAB9A (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL19995974 0.79 RAB9A (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL20005705 0.77 RAB9A (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL6167501 0.76 KMT2A (0.46) NPC1RAB9AMAPTKMT2AGAA
SCHEMBL20005708 0.75 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL2132155 0.75 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2MAPTKMT2A

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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors BIAL—PORTELA & CA, S.A. (PT) 2021-04-13 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-10975083-B2 Blood-brain barrier-penetrant dopamine-β-hydroxylase inhibitors DBH, SLC6A3, SLC6A2 NPC1 271/4885RAB9A 967/4885SMN1; SMN2 1745/4885

“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.