SCHEMBL5518451

SCHEMBL5518451

CCCOc1ccc(-c2c(N)nc(S)nc2CC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.65
HEXA P06865 5/20 0.53
HEXB P07686 5/20 0.53
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 2/20 0.46
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC22A1 O15245 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL12487635 0.79 DHFR (1.00) DHFRHEXAHEXBTP53CYP1A2
SCHEMBL5528016 0.79 HEXA (0.72) DHFRHEXAHEXBTP53CYP1A2
SCHEMBL12487396 0.74 DHFR (1.00) DHFRHEXAHEXBTP53CYP1A2
Hydrochloric Acid SCHEMBL12486624 0.73 DHFR (1.00) DHFRHEXAHEXBTP53CYP1A2
SCHEMBL12525588 0.73 DHFR (0.85) DHFRHEXAHEXBTP53CYP1A2
SCHEMBL12368248 0.70 HEXA (1.00) DHFRHEXAHEXBTP53CYP1A2
SCHEMBL9152649 0.68 CYP3A4 (0.63) RAB9ANPC1TP53CYP1A2GAA
SCHEMBL6836988 0.68 CYP3A4 (0.63) RAB9ANPC1TP53CYP1A2GAA
SCHEMBL17108413 0.68 CYP3A4 (0.63) RAB9ANPC1TP53CYP1A2GAA
SCHEMBL5380417 0.67 RAB9A (0.60) RAB9ANPC1TP53CYP1A2GAA

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-20070135437-A1 Modulation of neurodegenerative diseases ALSGEN, INC. (US) 2007-06-14 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-20070135437-A1 Modulation of neurodegenerative diseases SMN1; SMN2, SOD1, SOD3 DHFR 1963/4885HEXA 123/4885HEXB 146/4885

“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.