SCHEMBL3437003

SCHEMBL3437003

COc1ccc(CNC(=O)CC#N)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
TDP1 Q9NUW8 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
TSHR P16473 1/20 0.61
MAPK10 P53779 1/20 0.61
EPHX2 P34913 1/20 0.60
ATM Q13315 1/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MCL1 Q07820 1/20 0.55
APEX1 P27695 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
SCHEMBL7325326 0.89 ALDH1A1 (0.68) ALDH1A1TDP1CYP1A2CYP2C19TSHR
SCHEMBL3369076 0.86 KMT2A (0.63) ALDH1A1CYP1A2CYP2C19POLBKMT2A
SCHEMBL31619840 0.86 KMT2A (0.63) ALDH1A1CYP1A2CYP2C19POLBKMT2A
SCHEMBL15315085 0.85 TSHR (0.60) ALDH1A1CYP1A2CYP2C19TSHRMAPK10
SCHEMBL6289156 0.82 ALDH1A1 (0.73) ALDH1A1TDP1EPHX2ATMPOLB
SCHEMBL6289157 0.82 ALDH1A1 (0.73) ALDH1A1TDP1EPHX2ATMPOLB
SCHEMBL7025629 0.81 MCL1 (0.64) ALDH1A1TSHREPHX2POLBKMT2A
SCHEMBL12989739 0.81 ALDH1A1 (0.71) ALDH1A1TDP1EPHX2ATMPOLB
SCHEMBL6317352 0.81 MCL1 (0.64) ALDH1A1TSHREPHX2POLBKMT2A
SCHEMBL29213174 0.81 ALDH1A1 (0.71) ALDH1A1TDP1TSHRMAPK10EPHX2

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
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation ROIFMAN CHAIM 2010-12-30 US disclosed
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation ROIFMAN CHAIM 2010-12-30 US disclosed
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation ROIFMAN CHAIM 2010-12-30 US disclosed
US-7807719-B2 Compounds useful for modulating abnormal cell proliferation Roifman, Chaim (CA) 2010-10-05 US disclosed
US-7807719-B2 Compounds useful for modulating abnormal cell proliferation Roifman, Chaim (CA) 2010-10-05 US disclosed
US-7807719-B2 Compounds useful for modulating abnormal cell proliferation Roifman, Chaim (CA) 2010-10-05 US disclosed
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
US-7598419-B2 Compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2009-10-06 US disclosed
EP-1797064-A4 NOVEL COMPOUNDS USEFUL FOR MODULATING ABNORMAL CELL PROLIFERATION HOSPITAL FOR SICK CHILDREN (CA) 2009-06-24 EP disclosed
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2007-10-18 US disclosed
WO-2005092904-A1 NOVEL COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2005-10-06 WO disclosed
EP-1551381-A2 STYRYLACRYLONITRILE COMPOUNDS FOR INHIBITION OF VASCULAR ENDOTHELIAL GROWTH FACTOR The Hospital for Sick Children (CA) 2005-07-13 EP disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
US-20040209845-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-21 US disclosed
US-6800659-B2 NOVEL STYRYLACRYLONITRILE COMPOUNDS WHICH ARE USEFUL IN TREATING A VARIETY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER ARE DISCLOSED. A METHOD OF MODULATING CELL PROLIFERATION COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2004-10-05 US disclosed
WO-2004032911-A2 STYRYLACRYLONITRILE COMPOUNDS FOR INHIBITION OF VASCULAR ENDOTHELIAL GROWTH FACTOR THE HOSPITAL FOR SICK CHILDREN (CA) 2004-04-22 WO disclosed
US-20040072803-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED (CA) 2004-04-15 US disclosed
US-20030109502-A1 Novel compounds for modulating cell proliferation HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2003-06-12 US disclosed
EP-1272457-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC Research and Development Limited Partnership (CA) 2003-01-08 EP disclosed
WO-2001079158-A2 COMPOUNDS FOR MODULATING CELL PROLIFERATION HSC RESEARCH AND DEVELOPMENT LIMITED PARTNERSHIP (CA) 2001-10-25 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ALDH1A1 4444/4885TDP1 527/4885CYP1A2 4402/4885
US-20070243612-A1 Novel Compounds for Modulating Cell Proliferation MKI67, CCNA1, PCNA ALDH1A1 546/4885TDP1 2605/4885CYP1A2 4684/4885
US-20040209845-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI ALDH1A1 178/4885TDP1 2317/4885CYP1A2 4071/4885
US-20030109502-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, CCNI ALDH1A1 178/4885TDP1 2317/4885CYP1A2 4071/4885
US-20100331549-A1 Novel compounds useful for modulating abnormal cell proliferation MKI67, CALU, CDK4 ALDH1A1 1908/4885TDP1 2776/4885CYP1A2 4044/4885
US-20040072803-A1 Novel compounds for modulating cell proliferation MKI67, CCNA1, MCL1 ALDH1A1 179/4885TDP1 2120/4885CYP1A2 3874/4885

“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.