SCHEMBL19625366

SCHEMBL19625366

CC(C)(C)c1nc(-c2ccc(Cl)cc2)co1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
ENPP3 O14638 3/20 0.41
ENPP1 P22413 1/20 0.41
NPC1 O15118 7/20 0.37
RAB9A P51151 7/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3179659 0.84 ENPP3 (0.59) ENPP3ENPP1NPC1RAB9APOLB
SCHEMBL990011 0.82 ENPP3 (0.41) ENPP3ENPP1NPC1RAB9AALDH1A1
SCHEMBL20286120 0.81 ENPP3 (0.45) ENPP3ENPP1RAB9AMAPTMEN1
SCHEMBL19625391 0.76 TP53 (0.46) ENPP3ENPP1NPC1RAB9APOLB
SCHEMBL2056109 0.76 ENPP3 (0.69) LTA4HENPP3ENPP1NPC1RAB9A
SCHEMBL3636890 0.75 LTA4H (0.54) LTA4HENPP3ENPP1NPC1RAB9A
SCHEMBL6603647 0.72 LTA4H (0.81) LTA4HENPP3ENPP1NPC1RAB9A
SCHEMBL2056285 0.71 S1PR1 (0.51) LTA4HENPP3ENPP1NPC1RAB9A
SCHEMBL10747798 0.71 LTA4H (0.44) LTA4HENPP3ENPP1NPC1RAB9A
SCHEMBL18999249 0.70 NPC1 (0.55) NPC1RAB9APOLBMAPTALDH1A1

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 LTA4H 2505/4885ENPP3 570/4885ENPP1 770/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 LTA4H 2505/4885ENPP3 570/4885ENPP1 770/4885

“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.