SCHEMBL4928792

SCHEMBL4928792

COC(=O)c1ccc(CNCCCO)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.66
CYP4F2 P78329 2/20 0.64
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.53
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
S1PR2 O95136 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
LPAR2 Q9HBW0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CHRM2 P08172 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
Hydrochloric Acid SCHEMBL28375976 0.98 CYP4A11 (0.64) CYP4A11CYP4F2POLBLMNAHPGD
SCHEMBL24140330 0.95 CYP4A11 (0.67) CYP4A11CYP4F2POLBLMNAHPGD
SCHEMBL28206352 0.90 CYP4A11 (0.60) CYP4A11CYP4F2POLBLMNAHPGD
SCHEMBL3310683 0.88 LMNA (0.64) CYP4A11CYP4F2LMNAHPGDLOXL2
SCHEMBL15270260 0.87 S1PR1 (0.57) CYP4A11CYP4F2LMNAHPGDLOXL2
SCHEMBL15270528 0.86 CYP4A11 (0.53) CYP4A11CYP4F2POLBLMNAHPGD
SCHEMBL15270367 0.86 LMNA (0.55) CYP4A11CYP4F2POLBLMNAHPGD
SCHEMBL10874890 0.86 LOXL2 (0.60) CYP4A11CYP4F2POLBLMNAHPGD
Hydrochloric Acid SCHEMBL16506887 0.86 S1PR1 (0.56) CYP4A11CYP4F2LMNAHPGDLOXL2
SCHEMBL7249257 0.85 LOXL2 (0.64) CYP4A11CYP4F2POLBLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112047927-A N-acyl-N' - (pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activity 德西费拉制药有限责任公司 2020-12-08 CN disclosed
CN-105228620-B N-acyl-N' - (pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activity 德西费拉制药有限责任公司 2020-09-04 CN disclosed
EP-2968287-B1 N-ACYL-N'-(PYRIDIN-2-YL) UREAS AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS LLC (US) 2020-06-24 EP disclosed
CN-110563700-A N-acyl-N' - (pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activity 德西费拉制药有限责任公司 2019-12-13 CN disclosed
US-10227295-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-9956192-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-05-01 US disclosed
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-28 US disclosed
US-9751832-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-09-05 US disclosed
US-20170035710-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-09 US disclosed
US-9409858-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2016-08-09 US disclosed
US-20140275080-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 US disclosed
WO-2013134298-A1 RAF INHIBITOR COMPOUNDS DECIPHERA PHARMACEUTICALS, LLC (US) 2013-09-12 WO disclosed
WO-2013134467-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2013-09-12 WO disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates S*BIO PTE LTD. (SG) 2008-03-20 US disclosed
EP-1685094-A4 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S BIO PTE LTD (SG) 2007-08-22 EP disclosed
EP-1685094-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*Bio Pte Ltd (SG) 2006-08-02 EP disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 WO disclosed
WO-2005040101-A1 ACYLUREA CONNECTED AND SULFONYLUREA CONNECTED HYDROXAMATES S*BIO PTE LTD (SG) 2005-05-06 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-20140275080-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities KIT, CSF1R, CSF3R CYP4A11 4712/4885CYP4F2 3735/4885POLB 2053/4885
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 CYP4A11 4616/4885CYP4F2 4065/4885POLB 2092/4885
US-20170035710-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 CYP4A11 4413/4885CYP4F2 4146/4885POLB 408/4885
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 CYP4A11 4371/4885CYP4F2 4046/4885POLB 414/4885
US-10227295-B2 Selective histone deactylase 6 inhibitors HDAC1, HDAC5, HDAC11 CYP4A11 4371/4885CYP4F2 4046/4885POLB 414/4885

“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.