Sugi Predict

Sugi Predict / Compounds / SCHEMBL478663

SCHEMBL478663

SCHEMBL478663

[CH2]C1CCCN(C(C)=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ EPHX2 P34913 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ CHRNB2 P17787 3/20 0.38
▸ CHRNA3 P32297 3/20 0.38
▸ CHRNA4 P43681 3/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ CHRNA6 Q15825 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA12 O43570 1/20 0.37

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
SCHEMBL478540 0.87 — —
SCHEMBL28106778 0.87 — —
SCHEMBL3123799 0.79 ALDH1A1 (0.36) ALDH1A1MAPK1LMNAMAPTCA1
SCHEMBL771577 0.79 CHRNB2 (0.42) ALDH1A1LMNACHRNB2CHRNA3CHRNA4
SCHEMBL478900 0.79 CHRNB2 (0.43) ALDH1A1MAPK1LMNACHRNB2CHRNA3
SCHEMBL478305 0.79 MEN1 (0.46) ALDH1A1MAPK1EPHX2LMNACHRNB2
SCHEMBL478739 0.78 HPGD (0.57) ALDH1A1LMNACHRNB2CHRNA3CHRNA4
SCHEMBL478296 0.77 — —
SCHEMBL3606966 0.77 CA12 (0.52) ALDH1A1MAPK1EPHX2LMNAEPHX1
SCHEMBL4309663 0.77 ALDH1A1 (0.61) ALDH1A1LMNAMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 — — US claimed
EP-2265601-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 — — EP claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 — — US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 — — US claimed
CN-102026996-A Pyridazine derivatives as factor XIA inhibitors BRISTOL MYERS SQUIBB CO 2011-04-20 — — CN claimed
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-27 — — US claimed
EP-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 — — EP claimed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 — — WO claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 — — US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 — — US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 — — US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 — — WO claimed
EP-1421107-A1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2004-05-26 — — EP claimed
US-20030050246-A1 Peptides having antiangiogenic activity ABBOTT LABORATORIES 2003-03-13 — — US claimed
US-20030045477-A1 Peptides having antiangiogenic activity ABBOTT LABORATORIES 2003-03-06 — — US claimed
WO-2003011896-A1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-02-13 — — WO claimed
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 — — US disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 — — US disclosed
US-20030045477-A1 Peptides having antiangiogenic activity ABBOTT LABORATORIES 2003-03-06 — — US disclosed
WO-2003011896-A1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2003-02-13 — — 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 (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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1756/4885MAPK1 2764/4885EPHX2 2163/4885
US-20110021492-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS F11, F12, TFPI2 ALDH1A1 2830/4885MAPK1 778/4885EPHX2 785/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 ALDH1A1 1005/4885MAPK1 1968/4885EPHX2 2012/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 ALDH1A1 1005/4885MAPK1 1968/4885EPHX2 2012/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1756/4885MAPK1 2764/4885EPHX2 2163/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ALDH1A1 1756/4885MAPK1 2764/4885EPHX2 2163/4885

“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.

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