SCHEMBL19417846

SCHEMBL19417846

O=[N+]([O-])c1cnccc1N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.69
▸ HTT P42858 3/20 0.69
▸ POLB P06746 2/20 0.69
▸ CYP1A2 P05177 3/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CTSB P07858 1/20 0.54
▸ LMNA P02545 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CYP2C19 P33261 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL30050306 1.00 MAPT (0.69) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL9425659 0.86 MAPT (0.67) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL1710516 0.84 MAPT (0.65) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL20189964 0.84 MAPT (0.50) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL4555801 0.82 SMN1; SMN2 (0.53) MAPTHTTPOLBLMNAMAPK1
SCHEMBL20189765 0.82 MAPT (0.49) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL15771279 0.82 CYP3A4 (0.52) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL4437996 0.82 MAPT (0.53) MAPTHTTPOLBLMNAMAPK1
SCHEMBL15771015 0.81 MAPT (0.48) MAPTHTTPOLBCYP1A2CYP2C9
SCHEMBL20189504 0.80 MAPT (0.47) MAPTHTTPOLBCYP1A2CYP2C9

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3544980-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 — — EP disclosed
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 — — CN 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
EP-3544980-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
WO-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 — — WO disclosed
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 — — EP disclosed
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 — — EP 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-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP MAPT 81/4885HTT 2452/4885POLB 1008/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MAPT 81/4885HTT 2452/4885POLB 1008/4885

“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.

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