SCHEMBL3436652

SCHEMBL3436652

COc1ccccc1-c1nc(C)c(C(=O)O)s1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
KDM4E B2RXH2 8/20 0.55
KMT2A Q03164 1/20 0.55
RAB9A P51151 6/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 3/20 0.50
POLB P06746 1/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.49
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
AHR P35869 1/20 0.49
HTR2C P28335 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL289862 0.88 APP (0.55) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL10995149 0.87 CYP1A2 (0.51) SMN1; SMN2KDM4EKMT2ARAB9ANPC1
SCHEMBL10997300 0.84 LMNA (0.60) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL3435514 0.84 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL3435042 0.83 KDM4E (0.57) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL3435518 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL10049076 0.82 PTGDR2 (0.53) SMN1; SMN2KDM4EKMT2ARAB9ANPC1
SCHEMBL3435617 0.82 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL3436284 0.81 KDM4E (0.59) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL3371496 0.81 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EKMT2ARAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
WO-2012002527-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR あすか製薬株式会社 (JP) 2012-01-05 WO 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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI SMN1; SMN2 2696/4885KDM4E 1069/4885KMT2A 1012/4885

“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.