SCHEMBL6367001

SCHEMBL6367001

CCc1cc(NCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL29456981 1.00 KMT2A (0.35) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL9846168 0.87 KMT2A (0.33) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL9681878 0.87 KMT2A (0.35) KMT2AMEN1KDM4ELMNAPOLB
SCHEMBL9846239 0.84 MEN1 (0.32) KMT2AMEN1ALDH1A1HPGDRAB9A
L-697661 SCHEMBL599639 0.84 FABP4 (0.34) KMT2AMEN1KDM4EALDH1A1HPGD
L-697661 SCHEMBL29456987 0.84 FABP4 (0.34) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9170726 0.84 PIK3CD (0.42) ELANE
SCHEMBL9681377 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9171193 0.81 FABP4 (0.34)
SCHEMBL9283877 0.80 ALDH1A1 (0.39) KMT2AMEN1KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US claimed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP claimed
WO-1994009781-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1994-05-11 WO claimed
EP-0577243-A2 Recombinant human HIV-neutralizing monoclonal antibodies for prevention and treatment of HIV infection MERCK & CO. INC. (US) 1994-01-05 EP claimed
WO-1993019785-A1 RECOMBINANT HUMAN HIV-NEUTRALIZING MONOCLONAL ANTIBODIES FOR PREVENTION AND TREATMENT OF HIV INFECTION MERCK & CO., INC. (US) 1993-10-14 WO claimed
EP-0484071-A2 Synergism of HIV reverse transcriptase inhibitors MERCK & CO. INC. (US) 1992-05-06 EP claimed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP claimed
JP-4300834-A None JP disclosed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US disclosed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP disclosed
WO-1994009781-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1994-05-11 WO disclosed
WO-1993019785-A1 RECOMBINANT HUMAN HIV-NEUTRALIZING MONOCLONAL ANTIBODIES FOR PREVENTION AND TREATMENT OF HIV INFECTION MERCK & CO., INC. (US) 1993-10-14 WO disclosed
US-5215900-A Biosynthesis a culture product utilizing as enzyme inhibitor in treatment of immune deficiency syndrome MERCK & CO., INC. (US) 1993-06-01 US disclosed
US-5169769-A Aerobic culture product MERCK & CO., INC. (US) 1992-12-08 US disclosed
JP-H04300834-A SYNERGISM OF HIV REVERSE TRANSCRIPTASE INHIBITOR MERCK & CO INC 1992-10-23 JP disclosed
EP-0484071-A2 Synergism of HIV reverse transcriptase inhibitors MERCK & CO. INC. (US) 1992-05-06 EP disclosed
EP-0462808-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 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-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 KMT2A 3265/4885MEN1 4840/4885KDM4E 2446/4885

“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.