SCHEMBL2551402

SCHEMBL2551402

COc1ccc(NC(=O)c2sccc2Br)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
GAA P10253 2/20 0.52
ALDH1A1 P00352 7/20 0.50
MAPT P10636 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
HPGD P15428 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABCB1 P08183 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
MAPK10 P53779 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL2552601 0.86 MAPT (0.57) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL12278993 0.85 DHODH (0.54) DHODHSMN1; SMN2NPC1RAB9AGAA
SCHEMBL2548541 0.80 ALDH1A1 (0.45) DHODHSMN1; SMN2NPC1RAB9AGAA
SCHEMBL2548627 0.78 MEN1 (0.59) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL15096400 0.74 IDO1 (0.43) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2095011 0.74 RAB9A (0.57) DHODHSMN1; SMN2NPC1RAB9AGAA
SCHEMBL2095013 0.74 RAB9A (0.58) DHODHSMN1; SMN2NPC1RAB9AGAA
SCHEMBL8320072 0.74 RAB9A (0.57) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL23352868 0.74 RAB9A (0.70) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL27370640 0.73 RAB9A (0.47) SMN1; SMN2NPC1RAB9AGAAALDH1A1

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 13 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
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 DHODH 1984/4885SMN1; SMN2 2994/4885NPC1 2045/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 DHODH 1984/4885SMN1; SMN2 2994/4885NPC1 2045/4885

“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.