SCHEMBL19625524

SCHEMBL19625524

CC(C)(C)c1nc(-c2ccc(N3CCCCCC3)c(F)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
PSEN1 P49768 9/20 0.42
PSEN2 P49810 9/20 0.42
APH1B Q8WW43 9/20 0.42
NCSTN Q92542 9/20 0.42
APH1A Q96BI3 9/20 0.42
PSENEN Q9NZ42 9/20 0.42
NPC1 O15118 1/20 0.40
TRIM24 O15164 1/20 0.39
AR P10275 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL19625461 0.99 ALDH1A1 (0.43) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL19625465 0.88 RAB9A (0.42) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL19626789 0.86 ALDH1A1 (0.50) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL19625429 0.86 ALDH1A1 (0.42) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL19626792 0.86 NOTUM (0.45) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL19625373 0.84 RAB9A (0.44) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL29689877 0.82 RAB9A (0.52) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL28771716 0.82 RAB9A (0.52) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL19625457 0.82 FFAR4 (0.41) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL18864188 0.81 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 RAB9A 3162/4885SMN1; SMN2 4828/4885ALDH1A1 1166/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 RAB9A 3162/4885SMN1; SMN2 4828/4885ALDH1A1 1166/4885

“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.