SCHEMBL3064358

SCHEMBL3064358

COc1ccc(C=C(C)[N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
ALDH1A1 P00352 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
HPGD P15428 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
LMNA P02545 3/20 0.66
RAB9A P51151 3/20 0.66
MAPK1 P28482 2/20 0.66
S1PR4 O95977 1/20 0.66
S1PR1 P21453 1/20 0.66
GPR35 Q9HC97 1/20 0.66
L3MBTL1 Q9Y468 2/20 0.53
NTSR1 P30989 1/20 0.52
EGFR P00533 1/20 0.52
KDM4E B2RXH2 3/20 0.50
APP P05067 2/20 0.50
NPC1 O15118 2/20 0.50
FBP1 P09467 1/20 0.50
USP2 O75604 1/20 0.50
NSD2 O96028 1/20 0.50

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
SCHEMBL3064354 1.00 MAPT (0.66) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL6802414 0.95 MAPT (0.72) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL6802411 0.95 MAPT (0.72) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL30401418 0.94 MAPT (0.64) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL3064368 0.87 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL3064370 0.87 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL10975057 0.86 SMN1; SMN2 (0.63) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL9513655 0.86 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL18331459 0.86 MAPT (0.54) MAPTALDH1A1SMN1; SMN2HPGDNPSR1
SCHEMBL10975054 0.86 SMN1; SMN2 (0.63) MAPTALDH1A1SMN1; SMN2HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
US-9949966-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMAN-LA ROCHE INC. (US) 2018-04-24 US disclosed
EP-3099685-B1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2018-04-18 EP disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2016-10-13 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
US-9458153-B2 Dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-10-04 US disclosed
EP-2155192-B1 TETRAHYDROISOQUINOLINES AS TUMOUR GROWTH INHIBITORS STERIX LTD (GB) 2016-09-28 EP disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-07-21 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-07-30 US disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 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 (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-20150210682-A1 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 MAPT 4243/4885ALDH1A1 735/4885SMN1; SMN2 4490/4885
US-20160207914-A9 Novel dihydroquinolizinones for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, HCCS, DHX15 MAPT 4243/4885ALDH1A1 735/4885SMN1; SMN2 4490/4885
US-20100222299-A1 COMPOUND MKI67, VHL, MYC MAPT 4349/4885ALDH1A1 1517/4885SMN1; SMN2 4582/4885
US-20160296515-A1 NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, HCCS, DHX15 MAPT 4243/4885ALDH1A1 735/4885SMN1; SMN2 4490/4885

“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.