SCHEMBL2548627

SCHEMBL2548627

COc1ccc(NC(=O)c2sccc2Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 7/20 0.58
NPC1 O15118 7/20 0.58
RAB9A P51151 7/20 0.58
TP53 P04637 3/20 0.58
POLB P06746 2/20 0.57
ALOX15 P16050 1/20 0.57
ALDH1A1 P00352 2/20 0.56
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
AHR P35869 1/20 0.53
EDNRB P24530 1/20 0.52
EDNRA P25101 1/20 0.52
TSHR P16473 1/20 0.51
TGM2 P21980 1/20 0.50

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
SCHEMBL2548236 0.83 EDNRB (0.46) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12279289 0.82 MEN1 (0.59) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7574604 0.81 MAPT (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1866101 0.81 RAB9A (0.75) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3640599 0.81 DHODH (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6814716 0.80 NAMPT (0.46) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL2552601 0.79 MAPT (0.57) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2551402 0.78 DHODH (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3906447 0.76 RAB9A (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28199358 0.75 MAPT (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 12 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
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-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
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
CN-102917590-A Trycyclic compounds and pbk inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-02-06 CN 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 MEN1 2971/4885KMT2A 1532/4885SMN1; SMN2 2994/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 MEN1 2971/4885KMT2A 1532/4885SMN1; 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.