SCHEMBL10147428

SCHEMBL10147428

Cc1ccc(C(N)=S)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 7/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.41
RAD52 P43351 1/20 0.41
NFE2L2 Q16236 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.38
NPC1 O15118 1/20 0.38
TNF P01375 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
CDK5 Q00535 1/20 0.38
KLF5 Q13887 1/20 0.38

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
SCHEMBL14800110 0.82 ALDH1A1 (0.48) TDP1TP53ALDH1A1HTTGAA
SCHEMBL31493196 0.80 ALDH1A1 (0.42) ALDH1A1GAAKDM4EHPGDRAD52
SCHEMBL7168641 0.80 ALDH1A1 (0.50) TDP1TP53ALDH1A1HTTGAA
SCHEMBL31072891 0.79 TP53 (0.46) TDP1TP53ALDH1A1HTTGAA
SCHEMBL10333918 0.79 TP53 (0.46) TDP1TP53ALDH1A1HTTGAA
SCHEMBL13756304 0.79 TP53 (0.46) TDP1TP53ALDH1A1HTTGAA
SCHEMBL6843558 0.78 ALDH1A1 (0.39) ALDH1A1HTTGAAKDM4EHPGD
SCHEMBL6897299 0.78 RAB9A (0.47) ALDH1A1HTTGAAKDM4EHPGD
SCHEMBL14800044 0.78 GAA (0.51) ALDH1A1GAAKDM4EHPGDRAD52
SCHEMBL3251690 0.78 ALDH1A1 (0.44) ALDH1A1HTTHPGDRAD52SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753858-B Heterocyclic compound and p27Kip1Decomposing inhibitor ASKA制药株式会社 2019-04-30 CN disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
CN-105753858-A Heterocyclic compound and p27Kip1 degradation inhibitor ASKA制药株式会社 2016-07-13 CN disclosed
CN-102985405-B Heterocyclic compounds and p27Kip1Decomposition inhibitor ASKA制药株式会社 2016-07-06 CN 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
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 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
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
CN-102985405-A Heterocyclic compounds and p27Kip1Decomposition inhibitor ASKA PHARM CO LTD 2013-03-20 CN disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TDP1 1281/4885TP53 94/4885ALDH1A1 1996/4885
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI TDP1 3175/4885TP53 86/4885ALDH1A1 1594/4885

“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.