SCHEMBL307626

SCHEMBL307626

O=C(O)CC(=O)Nc1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
RAB9A P51151 3/20 0.65
ALDH1A1 P00352 4/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
HTT P42858 2/20 0.58
POLB P06746 3/20 0.57
TSHR P16473 2/20 0.57
KDM4E B2RXH2 1/20 0.55
CXCL8 P10145 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL2010247 0.90 SMN1; SMN2 (0.69) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL469448 0.85 SMN1; SMN2 (0.71) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL3990399 0.83 SMN1; SMN2 (0.60) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL7141238 0.83 ALDH1A1 (0.60) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL7982548 0.82 SMN1; SMN2 (0.64) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL469451 0.82 SMN1; SMN2 (0.67) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL469454 0.82 SMN1; SMN2 (0.67) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL2605749 0.81 KMT2A (0.63) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL19027028 0.81 SMN1; SMN2 (0.58) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL469447 0.81 SMN1; SMN2 (0.65) NPC1SMN1; SMN2RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709310-A Substituted cyclic amides and its purposes as herbicide 杜邦公司 2018-02-16 CN disclosed
CN-107001260-A 3 epoxide 3 (fragrant amino) propionic esters, its preparation method and its purposes in pyrrolidones is prepared 杜邦公司 2017-08-01 CN disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-9527805-B2 Small molecules as epigenetic modulators of lysine-specific demethylase 1 and methods of treating disorders NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-27 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2014-06-26 US disclosed
US-8759522-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-06-24 US disclosed
US-8759522-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-06-24 US disclosed
US-8729268-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-05-20 US disclosed
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2011-04-28 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-03-31 US disclosed
CN-101796055-A Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC 2010-08-04 CN disclosed
EP-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (4 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-20140179632-A1 METHODS OF INHIBITING PROTEIN TYROSINE KINASE ACTIVITY PTK2B, PRKACA, DSTYK NPC1 4018/4885SMN1; SMN2 3148/4885RAB9A 1569/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 NPC1 1129/4885SMN1; SMN2 4550/4885RAB9A 2065/4885
US-20110077240-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY ABL1, ERBB2, TYRO3 NPC1 3651/4885SMN1; SMN2 4292/4885RAB9A 2229/4885
US-20110098293-A1 Inhibitors of Protein Tyrosine Kinase Activity ABL1, ERBB2, TYRO3 NPC1 3651/4885SMN1; SMN2 4292/4885RAB9A 2229/4885

“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.