SCHEMBL2553283

SCHEMBL2553283

COn1c(=O)c2sccc2c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.37
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTPN1 P18031 1/20 0.35
ADORA2B P29275 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 1/20 0.33

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
Hydrochloric Acid SCHEMBL2550119 0.98 SMN1; SMN2 (0.51) SMN1; SMN2KMT2AALDH1A1KDM4ENPC1
SCHEMBL15095003 0.84 LMNA (0.49) SMN1; SMN2KMT2AALDH1A1KDM4EGAA
SCHEMBL2553123 0.79 GPR3 (0.50) SMN1; SMN2KMT2AALDH1A1KDM4ENPC1
SCHEMBL2547612 0.78 ALDH1A1 (0.35) SMN1; SMN2KMT2AALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL14672734 0.78 GPR3 (0.48) SMN1; SMN2KMT2AALDH1A1KDM4ENPC1
Bromide SCHEMBL16858710 0.78 GPR3 (0.48) SMN1; SMN2KMT2AALDH1A1KDM4ENPC1
Hydrochloric Acid SCHEMBL15092558 0.77 ALDH1A1 (0.35) SMN1; SMN2KMT2AALDH1A1KDM4ENPC1
SCHEMBL2549113 0.76 KDM4E (0.47) KMT2AALDH1A1KDM4EMEN1ADORA1
Hydrochloric Acid SCHEMBL2553176 0.74 KDM4E (0.46) KMT2AALDH1A1KDM4EMEN1ADORA1
Hydrochloric Acid SCHEMBL2550919 0.74 KMT2A (0.53) KMT2AALDH1A1KDM4ENPC1MEN1

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 6 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-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-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

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 SMN1; SMN2 2994/4885KMT2A 1532/4885ALDH1A1 4033/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 SMN1; SMN2 2994/4885KMT2A 1532/4885ALDH1A1 4033/4885

“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.