SCHEMBL4518266

SCHEMBL4518266

NS(=O)(=O)c1ccc(N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
KDM4E B2RXH2 1/20 1.00
LMNA P02545 1/20 1.00
HTR6 P50406 5/20 0.65
PIM1 P11309 1/20 0.56
PIM3 Q86V86 1/20 0.56
ADRB1 P08588 5/20 0.54
SIRT6 Q8N6T7 1/20 0.54
HTR3E A5X5Y0 3/20 0.53
HTR3B O95264 3/20 0.53
HTR3A P46098 3/20 0.53
HTR3D Q70Z44 3/20 0.53
HTR3C Q8WXA8 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
ADRB2 P07550 1/20 0.48
NCF1 P14598 1/20 0.48

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
Bromide SCHEMBL10408560 0.98 ALDH1A1 (0.96) ALDH1A1KDM4ELMNAHTR6PIM1
SCHEMBL31531621 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAHTR6ADRB1
SCHEMBL18118187 0.82 LMNA (0.70) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL9097181 0.82 LMNA (0.70) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL532144 0.81 ALDH1A1 (0.69) ALDH1A1KDM4ELMNAHTR6ADRB1
SCHEMBL18118191 0.81 LMNA (0.68) ALDH1A1KDM4ELMNACA12CA1
SCHEMBL8193969 0.81 LMNA (0.68) ALDH1A1KDM4ELMNACA12CA1
Hydrochloric Acid SCHEMBL20482315 0.80 KDM4E (0.67) ALDH1A1KDM4ELMNAHTR6ADRB1
Piperazine SCHEMBL27980528 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ELMNAHTR6ADRB1
SCHEMBL12719397 0.80 HTR6 (0.70) ALDH1A1KDM4ELMNAHTR6ADRB1

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-3596059-B1 HETEROCYCLIC COMPOUNDS USEFUL AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-11925637-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use SRX CARDIO, LLC (US) 2024-03-12 US disclosed
US-11622970-B2 BCL-2 inhibitors and their use as pharmaceuticals Prelude Therapeutics Incorporation (US) 2023-04-11 US disclosed
US-20220047582-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE SRX CARDIO, LLC 2022-02-17 US disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
US-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED 2021-11-11 US disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed
WO-2021222174-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2021-11-04 WO disclosed
US-11059794-B2 Heterocyclic compounds useful as dual ATX/CA inhibitors HOFFMANN-LA ROCHE INC. (US) 2021-07-13 US disclosed
US-10980801-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use SRX CARDIO, LLC (US) 2021-04-20 US disclosed
EP-0906294-A1 BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-04-07 EP disclosed
US-5877317-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 1999-03-02 US disclosed
EP-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 EP disclosed
WO-1997045419-A1 BENZOXAZINONE DOPAMINE D4 RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-04 WO disclosed
EP-0809642-A1 IMIDAZO 1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1997-12-03 EP disclosed
WO-1997002259-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1997-01-23 WO disclosed
CN-1139431-A Heterocyclic compounds for the treatment of central nervous system and cardiovascular diseases PHARMACIA & UPJOHN CO LLC (US) 1997-01-01 CN disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
WO-1996025414-A1 IMIDAZO[1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1996-08-22 WO disclosed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 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 (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-20210346405-A1 BCL-2 INHIBITORS AND THEIR USE AS PHARMACEUTICALS BCL2, BCL2L2, BCL2L1 ALDH1A1 3922/4885KDM4E 2431/4885LMNA 1095/4885
US-11622970-B2 BCL-2 inhibitors and their use as pharmaceuticals BCL2, BCL2L2, BCL2L1 ALDH1A1 3922/4885KDM4E 2431/4885LMNA 1095/4885
US-20220047582-A1 PHENYLPIPERAZINE PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) MODULATORS AND THEIR USE PCSK9, LDLR, PCSK7 ALDH1A1 3918/4885KDM4E 1841/4885LMNA 328/4885
US-10980801-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use PCSK9, LDLR, PCSK7 ALDH1A1 3918/4885KDM4E 1841/4885LMNA 328/4885
US-11925637-B2 Phenylpiperazine proprotein convertase subtilisin/kexin type 9 (PCSK9) modulators and their use PCSK9, LDLR, PCSK7 ALDH1A1 3918/4885KDM4E 1841/4885LMNA 328/4885
US-11059794-B2 Heterocyclic compounds useful as dual ATX/CA inhibitors ATXN2, ATXN2L, ATXN10 ALDH1A1 3727/4885KDM4E 1402/4885LMNA 741/4885

“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.