SCHEMBL3263382

SCHEMBL3263382

O=c1[nH][nH]cc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
PARP1 P09874 1/20 0.50
PLK4 O00444 1/20 0.46
MAPK9 P45984 1/20 0.46
LIMK1 P53667 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
AKT3 Q9Y243 1/20 0.46
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
GSK3B P49841 1/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL3261864 0.78 KDM4E (0.46) ALDH1A1MAPTKDM4EGSK3BGAA
SCHEMBL525877 0.73 MAPT (0.59) ALDH1A1PARP1PLK4MAPK9LIMK1
SCHEMBL3262685 0.72 GSK3B (0.51) ALDH1A1MAPTKDM4EGSK3BTDP1
SCHEMBL7710988 0.71 ALDH1A1 (0.67) ALDH1A1PARP1MAPTKDM4EPDE4A
SCHEMBL3485414 0.70 ALDH1A1 (1.00) ALDH1A1PARP1MAPTKDM4EGAA
SCHEMBL11434922 0.67 ALDH1A1 (0.53) ALDH1A1PARP1PLK4MAPK9LIMK1
SCHEMBL4208272 0.67 PARP1 (1.00) ALDH1A1PARP1PLK4LIMK1CLK4
SCHEMBL27501679 0.65 MEN1 (0.50) ALDH1A1MAPTKDM4ETDP1HDAC4
SCHEMBL27530459 0.65 LMNA (0.50) ALDH1A1PARP1MAPTKDM4EHDAC4
Anthraquinone SCHEMBL27283959 0.64 MEN1 (0.75) ALDH1A1MAPTKDM4EHTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713964-B2 Methods for treating asthmatic conditions WYETH LLC (US) 2010-05-11 US disclosed
US-7713964-B2 Methods for treating asthmatic conditions WYETH LLC (US) 2010-05-11 US disclosed
US-20100093725-A1 SEMI-SOLID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH 2010-04-15 US disclosed
US-20100056520-A1 FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH 2010-03-04 US disclosed
US-20100056520-A1 FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH 2010-03-04 US disclosed
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
WO-2008055146-A9 FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH CORP (US) 2008-08-21 WO disclosed
WO-2008055136-A2 LIQUID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH (US) 2008-05-08 WO disclosed
WO-2008055146-A2 FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH (US) 2008-05-08 WO disclosed
WO-2008055148-A2 SEMI-SOLID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS WYETH (US) 2008-05-08 WO disclosed
EP-0313021-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-04-26 EP disclosed
US-RE30420-E DIURETIC, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4112227-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4056533-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 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 (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-20100056520-A1 FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS PLA2G4B, PLA2G4A, PLA2G1B ALDH1A1 2802/4885PARP1 1596/4885PLK4 2501/4885
US-20100093725-A1 SEMI-SOLID FORMULATIONS OF PHOSPHOLIPASE ENZYME INHIBITORS PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 3246/4885PARP1 1850/4885PLK4 1825/4885

“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.