SCHEMBL21497445

SCHEMBL21497445

CC(C)(C)c1ccc2oc(CC(C)(C)c3ccc4scnc4c3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
F2RL3 Q96RI0 4/20 0.36
TRPV1 Q8NER1 2/20 0.35
FBP1 P09467 1/20 0.34
ACLY P53396 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
PDE10A Q9Y233 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
GRK6 P43250 1/20 0.32
CNR2 P34972 3/20 0.32
NTRK1 P04629 1/20 0.32
NTRK2 Q16620 1/20 0.32
RIPK2 O43353 2/20 0.32

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
SCHEMBL23479341 0.92 MEN1 (0.38) NPC1RAB9AGFERF2RL3TRPV1
SCHEMBL25054111 0.79 NPC1 (0.47) NPC1RAB9AGFERF2RL3TRPV1
SCHEMBL761133 0.78 ALDH1A1 (0.45) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL19262922 0.74 SCN10A (0.38) MEN1KMT2APDE10APOLBNTRK1
SCHEMBL28876443 0.74 NPC1 (0.46) NPC1RAB9AGFERF2RL3TRPV1
SCHEMBL30358398 0.74 NPC1 (0.46) NPC1RAB9AGFERF2RL3TRPV1
SCHEMBL11337498 0.74 NPC1 (0.47) NPC1RAB9AGFERF2RL3TRPV1
SCHEMBL22330400 0.74 SCN10A (0.37) MEN1KMT2APDE10APOLBNTRK1
SCHEMBL21341477 0.72 GAA (0.52) NPC1RAB9AGFERF2RL3TRPV1
SCHEMBL13265535 0.72 ALDH1A1 (0.40) NPC1RAB9AF2RL3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 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 (2 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-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD NPC1 369/4885RAB9A 2916/4885GFER 723/4885
US-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD NPC1 369/4885RAB9A 2916/4885GFER 723/4885

“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.