SCHEMBL2902383

SCHEMBL2902383

COc1cc2nc(CCCO)sc2c(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.37
PDE5A O76074 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
ECE1 P42892 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA9 Q16790 1/20 0.32
SLC10A2 Q12908 1/20 0.32

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
SCHEMBL2902844 0.86 DRD2 (0.33) ECE1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2905414 0.85 PDE4A (0.36) PDE5AMEN1KMT2AMAPTKDM4E
SCHEMBL27518837 0.83 CA9 (0.33) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2903341 0.82 DRD2 (0.48) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL2910400 0.81 HDAC6 (0.50) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2905107 0.80 CA9 (0.35) PDE5AALDH1A1MEN1KMT2AMAPT
SCHEMBL2903281 0.79 DRD3 (0.46) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL2902306 0.77 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2903681 0.75 KDM4E (0.43) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL2910348 0.72 KDM4E (0.45) ALDH1A1MEN1KMT2APOLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
CN-1281585-C Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2006-10-25 CN disclosed
CN-1599717-A Cyclic diamine compounds having fused-ring groups KOWA CO (JP) 2005-03-23 CN disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 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 (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-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 TNKS2 4604/4885PDE5A 3860/4885TUBB1 2897/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 TNKS2 4604/4885PDE5A 3860/4885TUBB1 2897/4885

“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.