SCHEMBL20189613

SCHEMBL20189613

O=[N+]([O-])c1cnccc1OCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.41
RAB9A P51151 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
GSK3B P49841 4/20 0.38
GSK3A P49840 3/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL16702893 0.85 ALDH1A1 (0.41) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL3594746 0.81 POLB (0.43) RAB9APOLBMAPT
SCHEMBL3488943 0.80 ALDH1A1 (0.50) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL16703853 0.79 HTT (0.40) CYP17A1RAB9AHTTALDH1A1MAPT
Hydrochloric Acid SCHEMBL3276016 0.78 ALDH1A1 (0.49) RAB9AHTTALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL2967978 0.78 LMNA (0.49) RAB9AHTTALDH1A1MAPTLMNA
SCHEMBL20190679 0.78 HTT (0.40) RAB9AHTTALDH1A1POLBMAPT
SCHEMBL4185071 0.78 RAB9A (0.66) RAB9AHTTALDH1A1POLBMAPT
SCHEMBL31194220 0.78 RAB9A (0.66) RAB9AHTTALDH1A1POLBMAPT
SCHEMBL16702268 0.76 ALDH1A1 (0.38) ALDH1A1POLBMAPT

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-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
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
US-10752609-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-25 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP17A1 130/4885RAB9A 2152/4885HTT 2236/4885
US-20190276463-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP CYP17A1 134/4885RAB9A 2216/4885HTT 2452/4885
US-10774086-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP CYP17A1 134/4885RAB9A 2216/4885HTT 2452/4885
US-10752609-B2 GSK-3 inhibitors GSK3B, GSK3A, GSKIP CYP17A1 130/4885RAB9A 2152/4885HTT 2236/4885

“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.