SCHEMBL3435518

SCHEMBL3435518

COc1ccc(-c2nc(C)c(C(=O)O)s2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
CYP1A1 P04798 3/20 0.51
CYP1B1 Q16678 3/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.50
TARBP2 Q15633 1/20 0.49
ALPL P05186 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 3/20 0.48
MEN1 O00255 2/20 0.48
XDH P47989 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2E1 P05181 1/20 0.47
CYP3A4 P08684 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
SCHEMBL3435042 0.89 KDM4E (0.57) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL290399 0.89 KDM4E (0.48) SMN1; SMN2CYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL3436284 0.87 KDM4E (0.59) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL3435514 0.87 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL14800560 0.85 KDM4E (0.53) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL3436652 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL19523348 0.82 XDH (0.68) KDM4ERAB9AGAATARBP2XDH
SCHEMBL14960103 0.79 CYP1A1 (0.55) SMN1; SMN2CYP1A1CYP1B1KDM4EALDH1A1
SCHEMBL3419091 0.79 RAB9A (0.74) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL3436700 0.78 CYP1A1 (0.51) SMN1; SMN2CYP1A1CYP1B1KDM4EALDH1A1

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 2696/4885CYP1A1 3012/4885CYP1B1 2735/4885

“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.