SCHEMBL20189898

SCHEMBL20189898

O=[N+]([O-])c1cnccc1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 1/20 0.48
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TNF P01375 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PIM1 P11309 2/20 0.41
AURKA O14965 1/20 0.41
CDK1 P06493 1/20 0.41
LYN P07948 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41

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
SCHEMBL29973546 1.00 ALDH1A1 (0.61) ALDH1A1TDP1MAPTCRHBPCRHR2
SCHEMBL11908199 0.83 RPS6KA3 (0.43) ALDH1A1TDP1MAPTHTTRAB9A
SCHEMBL29939436 0.83 ALDH1A1 (0.57) ALDH1A1TDP1MAPTHTTRAB9A
SCHEMBL28763125 0.83 RPS6KA3 (0.58) ALDH1A1TDP1MAPTHTTRAB9A
SCHEMBL3591834 0.83 ALDH1A1 (0.57) ALDH1A1TDP1MAPTHTTRAB9A
SCHEMBL4952534 0.83 AHR (0.42) ALDH1A1TDP1MAPTHTTRAB9A
SCHEMBL3171796 0.83 MEN1 (0.45) ALDH1A1TDP1MAPTHTTRAB9A
SCHEMBL1936346 0.81 KMO (0.55) ALDH1A1MAPT
SCHEMBL14287191 0.80 MAPT (0.56) ALDH1A1TDP1MAPTTNFHTT
SCHEMBL28913472 0.79 ALDH1A1 (0.49) ALDH1A1MAPTHTTRAB9ACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4633734-A1 COMPOUNDS, COMPOSITIONS, AND MEZHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN MISFOLDING Wavebreak Therapeutics, LLC (US) 2025-10-22 EP disclosed
WO-2024129881-A1 COMPOUNDS, COMPOSITIONS, AND MEZHODS OF TREATING DISORDERS ASSOCIATED WITH PROTEIN MISFOLDING WAVEBREAK THERAPEUTICS LIMITED (US) 2024-06-20 WO disclosed
US-20230416815-A1 METHOD FOR LABELING NUCLEIC ACID CAMBRIDGE ENTERPRISE LIMITED (GB) 2023-12-28 US disclosed
EP-4211262-A1 METHOD FOR LABELING NUCLEIC ACID Cambridge Enterprise Limited (GB) 2023-07-19 EP disclosed
CN-116323603-A Method for labeling nucleic acids 剑桥实业有限公司 2023-06-23 CN disclosed
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
WO-2022053718-A1 METHOD FOR LABELING NUCLEIC ACID CAMBRIDGE ENTERPRISE LIMITED (GB) 2022-03-17 WO 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
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
US-20190315714-A1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
EP-3544980-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2019-10-02 EP 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
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-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed
WO-2018098412-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 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 (3 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-20230416815-A1 METHOD FOR LABELING NUCLEIC ACID ALKBH1, ALKBH2, NT5C3B ALDH1A1 476/4885TDP1 171/4885MAPT 3759/4885
US-20190315714-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP ALDH1A1 4374/4885TDP1 1079/4885MAPT 90/4885
US-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP ALDH1A1 4339/4885TDP1 1102/4885MAPT 81/4885

“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.