SCHEMBL4933368

SCHEMBL4933368

COC(=O)c1ccc(CNCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ATM Q13315 1/20 0.68
MGLL Q99685 1/20 0.63
OPRM1 P35372 4/20 0.63
OPRD1 P41143 4/20 0.63
OPRK1 P41145 3/20 0.63
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
LMNA P02545 2/20 0.58
BCHE P06276 2/20 0.55
CYP4A11 Q02928 1/20 0.54
HPGD P15428 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 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
SCHEMBL4469796 0.96 MEN1 (0.63) MEN1KMT2AATMMGLLOPRM1
SCHEMBL6541617 0.91 CA1 (0.58) MEN1KMT2AATMMGLLOPRM1
Hydrochloric Acid SCHEMBL16507045 0.90 CYP4A11 (0.57) MEN1KMT2AATMMGLLOPRM1
SCHEMBL3746846 0.89 SMN1; SMN2 (0.73) MEN1KMT2AMGLLCA1CA2
Hydrochloric Acid SCHEMBL16506842 0.89 SIGMAR1 (0.62) MEN1KMT2AATMMGLLOPRM1
SCHEMBL15270421 0.88 CA1 (0.64) MEN1KMT2AATMMGLLOPRM1
Hydrochloric Acid SCHEMBL1169317 0.87 SMN1; SMN2 (0.71) MEN1KMT2AMGLLCA1CA2
SCHEMBL1928912 0.85 TSHR (0.67) MGLLCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL3310683 0.85 LMNA (0.64) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL11846611 0.85 CYP4F2 (0.64) MEN1KMT2AATMMGLLCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227295-B2 Selective histone deactylase 6 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-03-12 US disclosed
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED 2019-01-10 US disclosed
US-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-16 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-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
WO-2014055461-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-10 WO 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-10100018-B2 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 MEN1 1217/4885KMT2A 585/4885ATM 3506/4885
US-20080070954-A1 Acylurea Connected And Sulfonylurea Connected Hydroxamates HDAC1, HDAC3, HDAC4 MEN1 2737/4885KMT2A 105/4885ATM 3912/4885
US-20190010129-A1 Amide derivatives as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR3 MEN1 1195/4885KMT2A 593/4885ATM 3500/4885
US-20170369428-A1 SELECTIVE HISTONE DEACTYLASE 6 INHIBITORS HDAC1, HDAC5, HDAC11 MEN1 2363/4885KMT2A 48/4885ATM 1999/4885
US-10227295-B2 Selective histone deactylase 6 inhibitors HDAC1, HDAC5, HDAC11 MEN1 2363/4885KMT2A 48/4885ATM 1999/4885

“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.