SCHEMBL19625474

SCHEMBL19625474

CC(C)(C)c1nc(-c2ccc(N3CCCC3)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.51
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
AR P10275 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL19625370 0.99 MAOA (0.50) MAOARAB9ASMN1; SMN2ARTP53
SCHEMBL19625386 0.83 AR (0.45) MAOASMN1; SMN2ARTP53ALOX15
SCHEMBL7040245 0.83 RAB9A (0.59) MAOARAB9ASMN1; SMN2ARTP53
SCHEMBL19625402 0.82 SMN1; SMN2 (0.47) MAOARAB9ASMN1; SMN2ARTP53
Bromide SCHEMBL6832825 0.82 RAB9A (0.58) MAOARAB9ASMN1; SMN2ARTP53
SCHEMBL19627013 0.82 RAB9A (0.60) MAOARAB9ASMN1; SMN2ARTP53
SCHEMBL19625512 0.82 ALDH1A1 (0.41) MAOARAB9ASMN1; SMN2ARTP53
SCHEMBL19625429 0.81 ALDH1A1 (0.42) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL19625465 0.80 RAB9A (0.42) RAB9ASMN1; SMN2ARTP53ALOX15
SCHEMBL19625373 0.79 RAB9A (0.44) RAB9ASMN1; SMN2ARTP53ALOX15

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 MAOA 1667/4885RAB9A 3162/4885SMN1; SMN2 4828/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 MAOA 1667/4885RAB9A 3162/4885SMN1; SMN2 4828/4885

“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.