SCHEMBL25769745

SCHEMBL25769745

CCC(C)(C)c1ccc2oc(-c3ccc(Nc4nc(NC)nc(Nc5ccc(-c6nc7cc(C(C)(C)CC)ccc7o6)cc5)n4)cc3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
GFER P55789 1/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PTPN5 P54829 2/20 0.43
HSPD1 P10809 2/20 0.43
HSPE1 P61604 2/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
CASP3 P42574 3/20 0.43
SENP8 Q96LD8 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP6 Q9GZR1 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
F2RL3 Q96RI0 1/20 0.43

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
SCHEMBL8079864 0.90 NPC1 (0.45) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL24068960 0.90 NPC1 (0.50) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL17576277 0.85 ALDH1A1 (0.41) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL29724216 0.81 ALDH1A1 (0.39) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL432261 0.81 ALDH1A1 (0.39) NPC1RAB9AGFERKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL14915907 0.81 ALDH1A1 (0.38) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL3366096 0.79 ESR1 (0.62) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL6924910 0.79 RAB9A (0.67) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL23071375 0.78 RAB9A (0.39) NPC1RAB9AGFERKDM4EALDH1A1
SCHEMBL3367118 0.77 UTRN (0.57) NPC1RAB9AGFERKDM4EALDH1A1

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-20230210755-A1 FUNCTIONAL SKIN COATING POLYMER THE JOHNS HOPKINS UNIVERSITY 2023-07-06 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-20230210755-A1 FUNCTIONAL SKIN COATING POLYMER CUTA, PUF60, SUN2 NPC1 3697/4885RAB9A 2816/4885GFER 335/4885

“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.