SCHEMBL9853797

SCHEMBL9853797

O=[N+]([O-])c1cnccc1Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
TTR P02766 1/20 0.49
ALB P02768 1/20 0.49
THRB P10828 1/20 0.49
PIN1 Q13526 1/20 0.48
HPSE Q9Y251 1/20 0.46
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
GAA P10253 1/20 0.43
HTR6 P50406 1/20 0.42
TLR4 O00206 1/20 0.42

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
SCHEMBL12362955 0.84 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL641398 0.84 PDE7A (0.54) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL3597295 0.80 HSPB1 (0.59) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL11274397 0.80 HPGD (0.69) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL618697 0.80 KMT2A (0.56) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL18956877 0.79 ALDH1A1 (0.59) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL238962 0.79 L3MBTL1 (0.62) ALDH1A1MAPTHTTTDP1SMN1; SMN2
SCHEMBL641410 0.78 MAPT (0.46) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL9853600 0.78 PIN1 (0.56) ALDH1A1MAPTLMNAHTTTDP1
SCHEMBL1936411 0.77 CYP11B1 (0.54) ALDH1A1MAPTTDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066093-B9 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-02-07 EP 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
EP-3066093-B1 GSK-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-04 EP disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-9718804-B2 GSK-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-01 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
US-20160272621-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 US disclosed
EP-3066093-A1 GSK-3 INHIBITORS Bristol-Myers Squibb Company (US) 2016-09-14 EP disclosed
CN-105849098-A Gsk-3 inhibitors 百时美施贵宝公司 2016-08-10 CN disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed
WO-2015069594-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-14 WO disclosed
EP-0405487-A1 Phenoxypyridinamines and related compounds, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-01-02 EP disclosed
US-4959377-A Phenoxypyridinamine compounds which are use as a dermatological composition HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1990-09-25 US 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 (1 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-20160272621-A1 GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP ALDH1A1 4374/4885MAPT 90/4885LMNA 1497/4885

“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.