SCHEMBL3225205

SCHEMBL3225205

O=[C]CCCCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
NQO2 P16083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
MCL1 Q07820 2/20 0.43
ACP3 P15309 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
DAO P14920 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3220289 0.98 MTNR1A (0.44) MTNR1ANQO2TDP1GPR84CYP1A2
SCHEMBL11842602 0.98 MTNR1A (0.44) MTNR1ANQO2TDP1GPR84CYP1A2
SCHEMBL143127 0.95 MTNR1A (0.46) MTNR1ANQO2TDP1GPR84CYP1A2
SCHEMBL7176829 0.90 HPRT1 (0.44) MTNR1ANQO2TDP1GPR84MCL1
SCHEMBL7184367 0.89 HPRT1 (0.42) MTNR1ANQO2TDP1GPR84MCL1
SCHEMBL143457 0.87 MTNR1A (0.49) MTNR1ANQO2TDP1CYP1A2CYP2C19
SCHEMBL7182829 0.85 MTNR1A (0.39) MTNR1ANQO2GPR84SIGMAR1
SCHEMBL7176160 0.85 HPRT1 (0.45) MTNR1ANQO2TDP1GPR84CYP1A2
SCHEMBL9800436 0.84 CYP1A2 (0.58) MTNR1ANQO2TDP1GPR84CYP1A2
SCHEMBL7189734 0.83 MTNR1A (0.38) MTNR1ANQO2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
US-7750155-B2 Pyrazinyl hydroxyacrylamide compounds having an inhibitory effect on the activity of histone deacetylase ASTELLAS PHARMA INC. (JP) 2010-07-06 US disclosed
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLA PHARMA INC. (JP) 2009-02-26 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
US-5066816-A PROCESSES FOR PREPARING OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUNDS AND INTERMEDIATES THEREFOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-19 US disclosed
EP-0456266-A1 Method for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds, intermediates therefor and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-13 EP disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4264498-A REACTED WITH AN ACID, ITS ACID HALIDE, OR ANHYDRIDE IN THE PRESENCE OF BORON TRIHALIDE AND AN ORGANIC BASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-28 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 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 (3 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-20090054465-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC6, HDAC5 MTNR1A 3518/4885NQO2 287/4885TDP1 388/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 MTNR1A 942/4885NQO2 1505/4885TDP1 1981/4885
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 MTNR1A 3357/4885NQO2 857/4885TDP1 2815/4885

“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.