SCHEMBL511854

SCHEMBL511854

COc1cc(N)ccc1-n1ncnc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SNCA P37840 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KIT P10721 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL361403 0.82 NR4A1 (0.35) NR4A1ALDH1A1MAPTKDM4EGAA
SCHEMBL20335452 0.82 SMN1; SMN2 (0.39) ALDH1A1KDM4ELMNAGAAHTT
SCHEMBL29877763 0.78 ALDH1A1 (0.39) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL512812 0.78 ALDH1A1 (0.39) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL19814656 0.78 MAPT (0.44) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL511979 0.76 HTT (0.49) ALDH1A1MAPTLMNAMAPK1HTT
SCHEMBL19814266 0.75 KDM4E (0.49) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL16896842 0.74 NR4A1 (0.70) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL27938658 0.74 NR4A1 (0.59) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL15218939 0.73 NR4A1 (0.54) NR4A1ALDH1A1MAPTKDM4ELMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3342765-B1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2021-09-15 EP disclosed
EP-3342765-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2018-07-04 EP disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-26 US disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
EP-2459197-B1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-10-14 EP disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2015-06-04 US disclosed
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-11 US disclosed
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-11 US disclosed
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2012-02-02 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
US-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 US disclosed
WO-2011014535-A1 COMPOUNDS FOR THE REDUCTION OF β-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-03 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 (5 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-20110212937-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NR4A1 3431/4885ALDH1A1 1956/4885MAPT 15/4885
US-20150152089-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NR4A1 3431/4885ALDH1A1 1956/4885MAPT 15/4885
US-20120028994-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NR4A1 3431/4885ALDH1A1 1956/4885MAPT 15/4885
US-20130178462-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NR4A1 3431/4885ALDH1A1 1956/4885MAPT 15/4885
US-20150336975-A1 COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION APP, BACE1, IAPP NR4A1 3431/4885ALDH1A1 1956/4885MAPT 15/4885

“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.