SCHEMBL4101771

SCHEMBL4101771

O=c1[nH]ccn1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DBH P09172 5/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
ELANE P08246 1/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
CTRC Q99895 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DAO P14920 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSK3A P49840 1/20 0.42

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
SCHEMBL10978060 0.83 DBH (0.68) DBHALDH1A1POLBKMT2AATM
SCHEMBL7828943 0.81 ALDH1A1 (0.59) DBHALDH1A1HPGDPOLBKMT2A
SCHEMBL8583692 0.81 DBH (0.45) DBHALDH1A1HPGDPOLBTP53
SCHEMBL7690163 0.81 DBH (0.45) DBHALDH1A1HPGDPOLBKMT2A
SCHEMBL6156795 0.78 CMA1 (0.53) ALDH1A1KMT2ACMA1KDM4ETP53
SCHEMBL21382645 0.78 CYP11B1 (0.44) DBHALDH1A1HPGDPOLBDAO
SCHEMBL29004018 0.77 DBH (0.62) DBHALDH1A1HPGDPOLBKMT2A
SCHEMBL11079680 0.77 DBH (1.00) DBHALDH1A1HPGDPOLBKMT2A
SCHEMBL2800300 0.76 DUT (0.59) ALDH1A1HPGDCYP3A4
SCHEMBL5272693 0.73 ALDH1A1 (0.53) ALDH1A1HPGDKMT2AF2PLG

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654606-B Triazole compound as well as preparation method and application thereof 武汉朗来科技发展有限公司 2023-11-07 CN disclosed
EP-3912974-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
WO-2020147740-A1 TRIAZOLE COMPOUNDS, AND PREPARATION METHOD THEREOF AND USE 武汉朗来科技发展有限公司 2020-07-23 WO disclosed
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 US disclosed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO disclosed
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases INCYTE CORPORATION 2006-05-18 US disclosed
WO-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO disclosed
EP-0060610-B1 HEXAHYDRO-TRANS- AND TETRAHYDROPYRIDOINDOLE NEUROLEPTIC AGENTS PFIZER INC. (US) 1985-09-04 EP disclosed
US-4432978-A NEUROLEPTIC AGENTS, TRANQUILIZERS PFIZER INC. (US) 1984-02-21 US disclosed
US-4431649-A TRANQUILIZERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4431646-A TRANQUILIZERS; PSYCHOSIS; NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4427679-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS PFIZER INC. (US) 1984-01-24 US disclosed
EP-0060610-A1 Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents PFIZER INC. (US) 1982-09-22 EP disclosed
US-4337250-A NEUROLEPTIC AGENTS PFIZER INC. (US) 1982-06-29 US 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 (4 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS DBH 2697/4885ALDH1A1 3704/4885HPGD 3065/4885
US-20070249583-A1 HMG-CoA reductase inhibitors HMGCR, LDLR, PCSK9 DBH 905/4885ALDH1A1 1255/4885HPGD 162/4885
US-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 DBH 4700/4885ALDH1A1 3857/4885HPGD 3266/4885
US-20060106020-A1 Tetracyclic inhibitors of Janus kinases JAK1, JAK2, JAK3 DBH 4700/4885ALDH1A1 3857/4885HPGD 3266/4885

“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.