SCHEMBL12293307

SCHEMBL12293307

CC(C)(C)c1nc(-c2cccc(Cl)c2)cs1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
MAPT P10636 3/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
ABL1 P00519 1/20 0.53
ATP4A P20648 2/20 0.52
ATP4B P51164 2/20 0.52
CFTR P13569 2/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
GLA P06280 1/20 0.47
GSTO1 P78417 1/20 0.47
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44

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
SCHEMBL12868318 0.84 ATP4A (0.55) MAPTNPC1MAPK1RAB9AATP4A
SCHEMBL982911 0.82 RECQL (0.66) CYP19A1MAPTNPC1GAAMAPK1
SCHEMBL19625319 0.81 MAPT (0.62) MAPTNPC1GAAMAPK1RAB9A
SCHEMBL19625325 0.81 KDM4E (0.62) MAPTNPC1GAARAB9ATSHR
SCHEMBL799889 0.80 RAB9A (0.56) CYP19A1MAPTNPC1GAARAB9A
SCHEMBL799900 0.80 ALDH1A1 (0.55) MAPTNPC1GAARAB9AATP4A
SCHEMBL13650700 0.79 CYP1A2 (0.53) MAPTNPC1RAB9AABL1CFTR
SCHEMBL19625383 0.79 SMN1; SMN2 (0.46) MAPTNPC1GAAMAPK1RAB9A
SCHEMBL10220288 0.79 CYP19A1 (0.59) CYP19A1MAPTNPC1GAARAB9A
SCHEMBL19626577 0.79 ALDH1A1 (0.53) CFTRKDM1ACYP1A2

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 4 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
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 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 (3 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 CYP19A1 821/4885MAPT 4783/4885NPC1 2489/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 CYP19A1 821/4885MAPT 4783/4885NPC1 2489/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B CYP19A1 1308/4885MAPT 642/4885NPC1 617/4885

“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.