SCHEMBL3591834

SCHEMBL3591834

O=[N+]([O-])c1cnccc1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HTT P42858 3/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
MAPK14 Q16539 5/20 0.46
GCGR P47871 1/20 0.46
RPS6KA3 P51812 2/20 0.45
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
TDP1 Q9NUW8 4/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RIPK2 O43353 1/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL29939436 1.00 ALDH1A1 (0.57) ALDH1A1HTTRAB9AMAPTLMNA
SCHEMBL28763125 0.83 RPS6KA3 (0.58) ALDH1A1HTTRAB9AMAPTRPS6KA3
SCHEMBL11908199 0.83 RPS6KA3 (0.43) ALDH1A1HTTRAB9AMAPTRPS6KA3
SCHEMBL3171796 0.83 MEN1 (0.45) ALDH1A1HTTRAB9AMAPTMAPK14
SCHEMBL4952534 0.83 AHR (0.42) ALDH1A1HTTRAB9AMAPTLMNA
SCHEMBL29973546 0.83 ALDH1A1 (0.61) ALDH1A1HTTRAB9AMAPTRPS6KA3
SCHEMBL20189898 0.83 ALDH1A1 (0.61) ALDH1A1HTTRAB9AMAPTRPS6KA3
SCHEMBL29263068 0.80 ALDH1A1 (0.50) ALDH1A1HTTRAB9AMAPTLMNA
SCHEMBL20189835 0.80 SLC22A12 (0.47) ALDH1A1HTTRAB9ATDP1SLC22A12
SCHEMBL1763313 0.80 GAA (0.60) ALDH1A1HTTMAPTRPS6KA3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed
CN-110225912-B GSK-3 inhibitors 百时美施贵宝公司 2022-10-21 CN disclosed
EP-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3544613-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-09 EP disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-10774086-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-09-15 US disclosed
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 US disclosed
CN-110545817-A GSK-3 inhibitors SQUIBB BRISTOL MYERS COMPANY 2019-12-06 CN disclosed
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
EP-3544613-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP disclosed
US-20190276463-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-09-12 US disclosed
CN-110225912-A GSK-3 inhibitor 百时美施贵宝公司 2019-09-10 CN disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
EP-1784403-B1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2013-07-17 EP disclosed
US-7642269-B2 Pyrrolo[3,2-B]pyridine derivatives and processes for the preparation thereof YUHAN CORPORATION (KR) 2010-01-05 US disclosed
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2007-09-13 US disclosed
EP-1784403-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006038773-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-04-13 WO disclosed
CN-1061041-C Piperidine derivatives GLAXO GROUP LTD (GB) 2001-01-24 CN 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-20190315714-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP ALDH1A1 4374/4885HTT 2236/4885RAB9A 2152/4885
US-20070213358-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF PGA5, ATP6AP1, PPOX ALDH1A1 1933/4885HTT 877/4885RAB9A 270/4885
US-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP ALDH1A1 4339/4885HTT 2452/4885RAB9A 2216/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 4339/4885HTT 2452/4885RAB9A 2216/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP ALDH1A1 4374/4885HTT 2236/4885RAB9A 2152/4885

“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.