SCHEMBL2547281

SCHEMBL2547281

COc1ccc2[nH]c(=O)c3sc(C)cc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CYP1A2 P05177 1/20 0.57
PPARG P37231 1/20 0.57
NCOA2 Q15596 1/20 0.57
NCOA1 Q15788 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
NCOA3 Q9Y6Q9 1/20 0.57
ALDH1A1 P00352 9/20 0.56
KDM4E B2RXH2 9/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
HSD17B10 Q99714 3/20 0.56
TSHR P16473 2/20 0.56
GFER P55789 1/20 0.56
HPGD P15428 7/20 0.52
HCRTR1 O43613 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL2553392 0.79 NEK1 (0.49) CYP1A2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2549121 0.78 KDM4E (0.57) HTTNPSR1SMN1; SMN2CYP1A2PPARG
SCHEMBL16858721 0.77 ALDH1A1 (0.52) HTTNPSR1SMN1; SMN2CYP1A2PPARG
Hydrochloric Acid SCHEMBL15092502 0.76 NEK1 (0.44) HTTNPSR1SMN1; SMN2CYP1A2PPARG
SCHEMBL2597652 0.74 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL29391519 0.74 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2552595 0.73 NEK1 (0.47) PDE3BPDE3AMTNR1AMTNR1B
SCHEMBL14668902 0.72 ABCG2 (0.78) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12285521 0.71 ABCG2 (0.83) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16156546 0.71 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
US-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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 (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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 HTT 3168/4885NPSR1 4834/4885SMN1; SMN2 2994/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 HTT 3168/4885NPSR1 4834/4885SMN1; SMN2 2994/4885

“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.