SCHEMBL62001

SCHEMBL62001

[c]1cccc(Oc2ccccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PTGS2 P35354 2/20 0.40
LTA4H P09960 1/20 0.40
PDE10A Q9Y233 1/20 0.40
GRM5 P41594 1/20 0.39
FFAR4 Q5NUL3 3/20 0.38
MAP4K4 O95819 1/20 0.36
GPR39 O43194 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
IP6K1 Q92551 2/20 0.36
IP6K3 Q96PC2 2/20 0.36
IP6K2 Q9UHH9 2/20 0.36
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35

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
SCHEMBL692949 0.79 LTA4H (0.46) TLR4TLR2KDM4EPTGS2LTA4H
SCHEMBL3939679 0.79 MEN1 (0.47) TLR4TLR2KDM4ECYP1A2LMNA
SCHEMBL922397 0.79 KDM4E (0.47) KDM4EPTGS2LTA4HLMNAHRH3
SCHEMBL29610302 0.78 LOXL2 (0.52) TLR4TLR2KDM4EPTGS2LTA4H
SCHEMBL147539 0.78 LOXL2 (0.52) TLR4TLR2KDM4EPTGS2LTA4H
SCHEMBL8510667 0.77 LTA4H (0.50) TLR4TLR2KDM4EPTGS2LTA4H
SCHEMBL5443693 0.77 LTA4H (0.50) TLR4TLR2KDM4EPTGS2LTA4H
SCHEMBL11143982 0.76 PTGS2 (0.57) TLR4TLR2KDM4EPTGS2LTA4H
SCHEMBL8155454 0.76 LTA4H (0.43) LTA4HSMN1; SMN2
Methyl Alcohol SCHEMBL11157137 0.75 GPR39 (0.51) TLR4TLR2KDM4EPTGS2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985281-A2 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Celgene Corporation (US) 2016-02-17 EP claimed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US claimed
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CELGENE CORPORATION (US) 2013-02-21 US claimed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US claimed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US claimed
EP-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP claimed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO claimed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 US claimed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US claimed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP claimed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US claimed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
EP-3925609-A1 METHODS OF TREATING MULTIPLE MYELOMA WITH IMMUNOMODULATORY COMPOUNDS IN COMBINATION WITH ANTIBODIES Celgene Corporation (US) 2021-12-22 EP disclosed
US-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARM LLC (US) 2020-04-16 US disclosed
CN-86107292-A Novel silane derivatives, process for their preparation, formulations containing them and their use as pesticides 1987-07-29 CN disclosed
EP-0224024-A1 Silane derivatives, process for their preparation, agents containing them and their use as pesticides HOECHST AKTIENGESELLSCHAFT (DE) 1987-06-03 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 (6 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-20200113896-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY MTOR, ULK1, RICTOR TLR4 871/4885TLR2 1339/4885KDM4E 1585/4885
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 TLR4 1062/4885TLR2 1053/4885KDM4E 4244/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 TLR4 248/4885TLR2 527/4885KDM4E 3458/4885
US-20130045976-A1 ISOINDOLINE COMPOUNDS AND METHODS OF THEIR USE CPT1A, CYP11B2, NPC1 TLR4 3494/4885TLR2 3751/4885KDM4E 4053/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 TLR4 248/4885TLR2 527/4885KDM4E 3458/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 TLR4 270/4885TLR2 547/4885KDM4E 3452/4885

“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.