SCHEMBL3786399

SCHEMBL3786399

O=c1[nH]c2cc(F)c(F)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.50
PDE3A Q14432 3/20 0.50
DAO P14920 1/20 0.45
KDM4E B2RXH2 2/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.40
MPO P05164 1/20 0.39
XDH P47989 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
KLK7 P49862 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 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
SCHEMBL1439986 0.83 ALDH1A1 (0.63) PDE3BPDE3AKDM4EMAPTALDH1A1
SCHEMBL15322773 0.83 GRIN2D (0.50) PDE3BPDE3ADAOKDM4EMAPT
SCHEMBL31748445 0.83 MAPT (0.42) PDE3BPDE3ADAOKDM4EMAPT
SCHEMBL22725084 0.83 MAPT (0.42) PDE3BPDE3ADAOKDM4EMAPT
SCHEMBL17758383 0.83 PDE3B (0.41) PDE3BPDE3ADAOKDM4EMAPT
SCHEMBL123451 0.82 KDM4E (0.58) DAOKDM4EMAPTALDH1A1GRIN2D
SCHEMBL3426314 0.81 KDM4E (0.53) PDE3BPDE3ADAOKDM4EMAPT
SCHEMBL15932949 0.78 GRIN2D (0.55) PDE3BPDE3AKDM4EMAPTGAA
SCHEMBL14934067 0.78 PDE3B (0.38) PDE3BPDE3ADAOKDM4EMAPT
SCHEMBL6974351 0.76 MAPT (0.57) KDM4EMAPTGAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 WO claimed
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2017-10-12 US disclosed
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US disclosed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP disclosed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 WO disclosed
WO-2004039409-A2 COMPOSITION COMPRISING ACTIVATORS OF IK POTASSIUM CHANNELS AND CALCINEURIN ANTAGONISTS AND USE THEREOF SWITCH BIOTECH AG (DE) 2004-05-13 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 (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-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR PDE3B 2410/4885PDE3A 2978/4885DAO 3346/4885
US-20170290830-A1 SMALL MOLECULE REGULATORS OF STEROID RECEPTOR COACTIVATORS AND METHODS OF USE THEREOF NCOA2, NCOA3, NCOA1 PDE3B 4658/4885PDE3A 4601/4885DAO 4571/4885

“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.