SCHEMBL1744381

SCHEMBL1744381

COC(=O)c1ccc(N2CCNCC2)cc1Oc1cccc2[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR7 P34969 4/20 0.41
HTR2B P41595 2/20 0.41
TRPV1 Q8NER1 3/20 0.39
ABCB1 P08183 1/20 0.39
HTR1A P08908 1/20 0.39
FGFR1 P11362 1/20 0.39
HTR3A P46098 1/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
ADRB1 P08588 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1957869 0.84 ADRB1 (0.44) KDM4EMEN1KMT2AHTR7ABCB1
SCHEMBL1744400 0.80 NPC1 (0.46) KDM4ETRPV1
SCHEMBL1956805 0.79 HTR7 (0.43) KDM4EMEN1KMT2AHTR7HTR2B
SCHEMBL1959502 0.79 HTR1A (0.46) KDM4EMEN1KMT2AHTR7HTR2B
SCHEMBL1958032 0.78 NR4A2 (0.39) KDM4EMEN1KMT2AHTR7HTR2B
SCHEMBL1955377 0.77 LTA4H (0.53) KDM4EMEN1KMT2AHTR7ABCB1
SCHEMBL8257463 0.76 ABCB1 (0.53) KDM4EMEN1KMT2AHTR7ABCB1
SCHEMBL1957542 0.75 BCL2 (0.54)
SCHEMBL1959887 0.75 CYP2C9 (0.43) KDM4EMEN1KMT2AHTR7HTR2B
SCHEMBL1961177 0.75 ADRB1 (0.47) KDM4EMEN1KMT2AHTR7ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666758-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE AbbVie Inc. (US) 2020-06-17 EP disclosed
EP-3095784-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-23 EP disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2507229-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-10-05 EP disclosed
EP-2387559-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-06-29 EP disclosed
EP-2376480-B1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-06-01 EP disclosed
US-9315488-B2 Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases ABBVIE INC. (US) 2016-04-19 US disclosed
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBVIE INC (US) 2016-01-14 US disclosed
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-01-07 US disclosed
US-9156856-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
US-20100184750-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083442-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-17 US disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 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-20100184750-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KDM4E 3629/4885MEN1 3502/4885KMT2A 3558/4885
US-20100152183-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 KDM4E 3492/4885MEN1 4406/4885KMT2A 3120/4885
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KDM4E 3629/4885MEN1 3502/4885KMT2A 3558/4885
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 KDM4E 3710/4885MEN1 3625/4885KMT2A 3498/4885
US-20160009687-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 KDM4E 3492/4885MEN1 4406/4885KMT2A 3120/4885
US-20100298321-A1 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES BCL2, BCL3, BCL2L1 KDM4E 3492/4885MEN1 4406/4885KMT2A 3120/4885

“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.