SCHEMBL307269

SCHEMBL307269

O=C(O)C1(C(=O)Nc2ccccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
NPC1 O15118 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EGFR P00533 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL30074437 0.91 RAB9A (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL30600361 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL2152649 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17993534 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL14817543 0.84 SMN1; SMN2 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL13926362 0.83 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3557591 0.81 RAB9A (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL2605844 0.80 PDK1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL10289222 0.80 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL28160423 0.80 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929324-A The preparation and application of novel 1,1- cyclopropyl diamide derivatives 南开大学 2018-12-04 CN disclosed
CN-108503650-A Dioxane and quinazoline compounds or its pharmaceutical salts or its hydrate and its application as tyrosine kinase inhibitor 北京赛特明强医药科技有限公司 2018-09-07 CN disclosed
US-20180237378-A1 Asymmetric Bisamidation of Malonic Ester Derivatives SANDOZ AG (CH) 2018-08-23 US disclosed
EP-3337786-A1 ASYMMETRIC BISAMIDATION OF MALONIC ESTER DERIVATIVES Sandoz AG (CH) 2018-06-27 EP disclosed
WO-2017029362-A1 ASYMMETRIC BISAMIDATION OF MALONIC ESTER DERIVATIVES SANDOZ AG (CH) 2017-02-23 WO 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
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US disclosed
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-25 US 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
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP 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 (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-20180237378-A1 Asymmetric Bisamidation of Malonic Ester Derivatives MAL2, ALK, ME1 RAB9A 545/4885NPC1 4689/4885SMN1; SMN2 2775/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 RAB9A 2065/4885NPC1 1129/4885SMN1; SMN2 4550/4885
US-20080319188-A1 Novel pyridine derivatives and pyrimidine derivatives (3) HGF, MET, FLT4 RAB9A 425/4885NPC1 2775/4885SMN1; SMN2 4771/4885

“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.