SCHEMBL374642

SCHEMBL374642

Oc1n[nH]c2ccc[c]c12

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
PDPK1 O15530 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAP2K4 P45985 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ALPL P05186 1/20 0.31
IDO1 P14902 1/20 0.31
HPGD P15428 1/20 0.31
TTK P33981 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK1 P28482 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
MAPK6 Q16659 1/20 0.30

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
SCHEMBL136316 0.76 CYP1A2 (0.43) KDM4EGAAPDPK1CYP3A4MAP2K4
SCHEMBL1947333 0.76 PDPK1 (0.50) KDM4EGAAPDPK1CYP3A4
SCHEMBL16097568 0.73 KDM4E (0.31) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL2016070 0.73 KDM4E (0.41) KDM4EALDH1A1IDO1
SCHEMBL2301862 0.72 CNR1 (0.40) KDM4EALDH1A1
SCHEMBL15330376 0.72
SCHEMBL10468778 0.72 MAP2K1 (0.37)
SCHEMBL8777058 0.71 IDO1 (0.55) KDM4EGAAPDPK1CYP3A4MAP2K4
SCHEMBL10468234 0.69 NOS1 (0.35) KDM4ECYP3A4ALDH1A1HPGDMAPK1
SCHEMBL16617122 0.68 CNR1 (0.32) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728136-B2 Such as 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-2H-indol-2-one via coupling piperazine derivative with alkyl halide by heating in solvent free conditions LUPIN LIMITED (IN) 2010-06-01 US claimed
US-20070238877-A1 Novel Method for the Preparation of Aryl Piperazinyl-Heterocyclic Compounds LUPIN LIMITED (IN) 2007-10-11 US claimed
WO-2006011157-A2 METHODS FOR THE PREPARATION OF ARYL PIPERAZINYL-HETEROCYCLIC COMPOUNDS LUPIN LIMITED (IN) 2006-02-02 WO claimed
EP-0900088-B1 INCLUSION COMPLEXES OF ARYL-HETEROCYCLIC SALTS PFIZER (US) 2004-01-14 EP claimed
US-20010031756-A1 Inclusion complexes of aryl-heterocyclic salts KIM YESOOK (US) 2001-10-18 US claimed
US-6232304-B1 ZIPRASIDONE OR SALT MIXED OR COMPLEXED WITH CYCLODEXTRIN; INCREASING DRUG SOLUBILITY AND STABILITY PFIZER INC. 2001-05-15 US claimed
US-6127372-A FOR TREATMENT OR PREVENTION OF VIRAL DISEASES, ESPECIALLY AIDS OR HIV VERTEX PHARMACEUTICALS, INCORPORATED (US) 2000-10-03 US claimed
EP-0900088-A2 INCLUSION COMPLEXES OF ARYL-HETEROCYCLIC SALTS PFIZER INC. (US) 1999-03-10 EP claimed
WO-1997041896-A2 INCLUSION COMPLEXES OF ARYL-HETEROCYCLIC SALTS PFIZER INC. (US) 1997-11-13 WO claimed
US-12043639-B2 Polycationic methyl phospholipids for improved delivery of nucleic acids to eukaryotic cells MOLECULAR TRANSFER, INC. (US) 2024-07-23 US disclosed
EP-4399198-A2 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 Taipei Medical University (TW) 2024-07-17 EP disclosed
EP-3617194-B1 PROCESSES AND INTERMEDIATES FOR CARBAMOYLPYRIDONE HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2023-11-08 EP disclosed
WO-2023130012-A1 COMPOUNDS FOR MUTANT KRAS PROTEIN DEGRADATION AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2023-07-06 WO disclosed
WO-2023035005-A2 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 TAIPEI MEDICAL UNIVERSITY (TW) 2023-03-09 WO disclosed
EP-0584903-A1 Process for preparing aryl piperazinyl-heterocyclic compounds PFIZER INC. (US) 1994-03-02 EP disclosed
US-5206366-A Process for preparing aryl piperazinyl-heterocyclic compounds PFIZER INC. (US) 1993-04-27 US disclosed
EP-0281309-B1 PIPERAZINYL-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 1991-12-27 EP disclosed
US-4883795-A Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1989-11-28 US disclosed
US-4831031-A Aryl piperazinyl-(C2 or C4) alkylene heterocyclic compounds having neuroleptic activity PFIZER INC. (US) 1989-05-16 US disclosed
EP-0281309-A1 Piperazinyl-heterocyclic compounds PFIZER INC. (US) 1988-09-07 EP 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 (3 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-12043639-B2 Polycationic methyl phospholipids for improved delivery of nucleic acids to eukaryotic cells PHOSPHO1, MBOAT7, PLTP KDM4E 1984/4885GAA 3374/4885PDPK1 1458/4885
US-20070238877-A1 Novel Method for the Preparation of Aryl Piperazinyl-Heterocyclic Compounds AQP1, AQP3, AQP4 KDM4E 3340/4885GAA 539/4885PDPK1 3499/4885
US-20010031756-A1 Inclusion complexes of aryl-heterocyclic salts SBDS, SORD, TBCD KDM4E 2741/4885GAA 600/4885PDPK1 3651/4885

“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.