Sugi Predict

Sugi Predict / Compounds / SCHEMBL8311380

SCHEMBL8311380

SCHEMBL8311380

CNc1ccc2[nH]c(=O)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.61
▸ CREBBP Q92793 1/20 0.54
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ OGT O15294 1/20 0.48
▸ POLB P06746 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NOS3 P29474 2/20 0.47
▸ NOS2 P35228 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ KMO O15229 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44

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
SCHEMBL8351732 0.86 NOS1 (0.61) NOS1CREBBPPDE3BPDE3AOGT
SCHEMBL23444016 0.84 IL4I1 (0.52) NOS1CREBBPPDE3BPDE3AOGT
SCHEMBL19558133 0.83 NOS1 (0.57) NOS1CREBBPPDE3BPDE3AOGT
SCHEMBL9678808 0.80 CREBBP (0.56) NOS1CREBBPPOLBTDP1KDM4E
SCHEMBL15279177 0.79 F2 (0.51) NOS1CREBBPPDE3BPDE3ANOS3
SCHEMBL12362000 0.79 PSMB8 (0.61) NOS1CREBBPPOLBKDM4EALDH1A1
SCHEMBL21460047 0.78 NOS1 (0.56) NOS1CREBBPPOLBTDP1KDM4E
SCHEMBL10359665 0.78 SYK (0.55) NOS1CREBBPPDE3BPDE3AOGT
SCHEMBL31129257 0.78 CREBBP (0.61) NOS1CREBBPPOLBTDP1SMN1; SMN2
SCHEMBL26279957 0.78 NOS1 (0.51) NOS1CREBBPPDE3BPDE3AOGT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 — — US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 — — US disclosed
EP-1944305-B1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2011-10-19 — — EP disclosed
US-8008326-B2 4-benzyledene-piperidin derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2011-08-30 — — US disclosed
US-8008326-B2 4-benzyledene-piperidin derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2011-08-30 — — US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 — — US disclosed
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors BALDWIN IAN ROBERT 2009-12-17 — — US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 — — US disclosed
US-7572915-B2 4-[(3-methylphenyl)amino]-6-(methylsulfonyl)-3-quinolinecarboxamide; asthma, COPD, allergic rhinitis, or rheumatoid arthritis in a human GLAXO GROUP LIMITED (GB) 2009-08-11 — — US disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 — — US disclosed
US-20080312222-A1 4-Benzyledene-Piperidin Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-18 — — US disclosed
US-20080312222-A1 4-Benzyledene-Piperidin Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-18 — — US disclosed
EP-1944305-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2008-07-16 — — EP disclosed
EP-1633748-B1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2008-03-05 — — EP disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2007-06-21 — — US disclosed
WO-2007028445-A1 6-INDOLYL-4-YL-AMINO-5-HALOGENO-2-PYRIMIDINYL-AMINO DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-15 — — WO disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 — — US disclosed
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors DEAN ANTHONY W 2007-03-01 — — US disclosed
WO-2004103998-A1 QUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-02 — — WO 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 (5 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-20080312222-A1 4-Benzyledene-Piperidin Derivatives GRIN2C, GRIN2A, GRIN1 NOS1 1880/4885CREBBP 332/4885PDE3B 2346/4885
US-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI NOS1 2670/4885CREBBP 1722/4885PDE3B 689/4885
US-20090312325-A1 Quinoline Derivatives As Phosphodiesterase Inhibitors PDE3B, PDE4B, PDE4A NOS1 43/4885CREBBP 2482/4885PDE3B 1/4885
US-20070049570-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NOS1 43/4885CREBBP 2482/4885PDE3B 1/4885
US-20070142373-A1 Quinoline derivatives as phosphodiesterase inhibitors PDE3B, PDE4B, PDE4A NOS1 43/4885CREBBP 2482/4885PDE3B 1/4885

“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.