SCHEMBL1820520

SCHEMBL1820520

C1=C2N=c3ccccc3=C2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33
MAPK10 P53779 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL897853 0.86 CDC25B (0.38) ALDH1A1MAPTPKMMAPK10NPSR1
SCHEMBL1899511 0.74 ABCG2 (0.35)
SCHEMBL4302368 0.73 ABCG2 (0.31)
Hydrochloric Acid SCHEMBL5486774 0.73 ABCG2 (0.31)
SCHEMBL31264360 0.69 PTAFR (0.33)
SCHEMBL3905504 0.69 MAPT (0.34) ALDH1A1MAPTPKMMAPK10NPSR1
Hydrochloric Acid SCHEMBL7482838 0.68 MAPT (0.33) ALDH1A1MAPTPKMMAPK10NPSR1
Hydrochloric Acid SCHEMBL7484754 0.68 MAPT (0.33) ALDH1A1MAPTPKMMAPK10NPSR1
SCHEMBL8890839 0.67 MAPT (0.35) ALDH1A1MAPTPKMMAPK10NPSR1
SCHEMBL4132834 0.66 MAPT (0.37) ALDH1A1MAPTPKMMAPK10NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-7951743-B2 Preparation of ultra high molecular weight linear low density polyethylene EQUISTAR CHEMICALS, LP (US) 2011-05-31 US disclosed
US-7855255-B2 Preparation of multimodal polyethylene EQUISTAR CHEMICALS, LP (US) 2010-12-21 US disclosed
US-7829641-B2 Process for the preparation of multimodal polyethylene resins EQUISTAR CHEMICALS, LP (US) 2010-11-09 US disclosed
US-7666961-B2 Olefin polymerization process EQUISTAR CHEMICALS, LP (US) 2010-02-23 US disclosed
US-20100016526-A1 Process for the preparation of multimodal polyethylene resins EQUISTAR CHEMICALS, LP 2010-01-21 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
EP-1567561-B1 BIMETALLIC INDENOINDOLYL CATALYSTS EQUISTAR CHEM LP (US) 2009-05-27 EP disclosed
US-20090099316-A1 Preparation of multimodal polyethylene EQUISTAR CHEMICALS, LP 2009-04-16 US disclosed
WO-2009032050-A1 OLEFIN POLYMERIZATION PROCESS EQUISTAR CHEMICALS, LP (US) 2009-03-12 WO disclosed
WO-2002081529-A2 BIMETALLIC CATALYSTS FOR OLEFIN POLYMERIZATION EQUISTAR CHEMICALS, LP (US) 2002-10-17 WO disclosed
US-6440889-B1 OLEFIN POLYMERIZATION CATALYSTS; GROUP 4 METAL COMPLEXES WITH SINGLE ANIONIC INDENOINDOLYL LIGAND; REACTING AN INDENOINDOLE WITH TETRAKIS(DIALKYLAMINO) ZIRCONIUM COMPOUND; HALOGENATING; REACTING WITH A CYCLOPENTADIENYL ANION EQUISTAR CHEMICALS, LP 2002-08-27 US disclosed
US-6414162-B1 ORGANOMETALLIC COMPLEX WHICH COMPRISES AT LEAST ONE GROUP 3-10 TRANSITION OR LANTHANIDE METAL AND AT LEAST ONE DIANIONIC INDENOINDOLYL LIGAND THAT IS PI- OR SIGMA-BONDED TO METAL EQUISTAR CHEMICALS, LP 2002-07-02 US disclosed
US-6376629-B2 ORGANOMETALLIC COMPOUND EQUISTAR CHEMICALS, LP 2002-04-23 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
US-20010007848-A1 Single-site catalysts for olefin polymerization EQUISTAR CHEMICALS, L.P. 2001-07-12 US disclosed
US-6232260-B1 ORGANOMETALLIC COMPLEX COMPRISES A GROUP 3 TO 10 TRANSITION OR LANTHANIDE METAL, M, AND AT LEAST ONE INDENOINDOLYL LIGAND THAT IS .PI.-BONDED TO M. EQUISTAR CHEMICALS, L.P. 2001-05-15 US disclosed
WO-2001027125-A1 SINGLE-SITE CATALYSTS FOR OLEFIN POLYMERIZATION EQUISTAR CHEMICALS, L.P. (US) 2001-04-19 WO disclosed
US-5620973-A CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-15 US disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP 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-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ALDH1A1 1143/4885MAPT 1113/4885PKM 3244/4885

“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.