SCHEMBL546833

SCHEMBL546833

Cc1ccc(Sc2ccccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.49
MAPT P10636 5/20 0.49
TDP1 Q9NUW8 5/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C9 P11712 3/20 0.46
HTR1A P08908 2/20 0.46

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
SCHEMBL11121836 0.84 CYP1A2 (0.53) DHFRMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL30548756 0.84 CYP1A2 (0.53) DHFRMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL3095695 0.83 CYP3A4 (0.56) DHFRMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL11546 0.82 MAPT (0.56) DHFRMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL29613097 0.82 MAPT (0.56) DHFRMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL1341113 0.82 ALDH1A1 (0.50) MAPTTDP1ALDH1A1MAPK1MEN1
Hydrochloric Acid SCHEMBL5211034 0.80 MAPT (0.54) DHFRMAPTTDP1L3MBTL1ALDH1A1
SCHEMBL2614720 0.79 DHFR (0.49) DHFRMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL1713296 0.79 CYP1A2 (0.53) DHFRMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL31016398 0.79 CYP1A2 (0.53) DHFRMAPTL3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171404-A1 PCNA INHIBITORS AND USES THEREOF UNITED STATES GOVERNMENT 2025-05-29 US disclosed
WO-2025054318-A1 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2025-03-13 WO disclosed
EP-4490142-A2 PCNA INHIBITORS AND USES THEREOF City of Hope (US) 2025-01-15 EP disclosed
WO-2023172880-A2 PCNA INHIBITORS AND USES THEREOF CITY OF HOPE (US) 2023-09-14 WO disclosed
EP-1436271-B3 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H LUNDBECK AS (DK) 2022-04-20 EP disclosed
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2021-09-09 US disclosed
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2020-11-24 US disclosed
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2018-05-10 US disclosed
US-9708280-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2017-07-18 US disclosed
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2016-05-19 US disclosed
EP-1749818-A2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. Lundbeck A/S (DK) 2007-02-07 EP disclosed
US-7148238-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-12-12 US disclosed
US-7144884-B2 E.g., 4-[2-(4-Methylphenoxy)- or 4-[2-(4-Methylphenylsulfanyl)-phenyl]-3,6-dihydro-2H-pyridine or piperazine or the hydrochloride or oxalate; treating depression, anxiety disorder, and obsessive compulsive disorder. H. LUNDBECK A/S (DK) 2006-12-05 US disclosed
US-7138407-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-11-21 US disclosed
US-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-27 US disclosed
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-04-20 US disclosed
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2005-01-20 US disclosed
EP-1436271-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2004-07-14 EP disclosed
WO-2003029232-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2003-04-10 WO disclosed
EP-0002269-A1 Composition and use of this composition as a stabilizer in lubricating oils, and product obtained The B.F. GOODRICH Company (US) 1979-06-13 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 (8 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-20060089368-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C DHFR 739/4885MAPT 1795/4885TDP1 2169/4885
US-20050014740-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C DHFR 739/4885MAPT 1795/4885TDP1 2169/4885
US-20180127389-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C DHFR 739/4885MAPT 1795/4885TDP1 2169/4885
US-20060084662-A1 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C DHFR 739/4885MAPT 1795/4885TDP1 2169/4885
US-20210276966-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C DHFR 739/4885MAPT 1795/4885TDP1 2169/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C DHFR 739/4885MAPT 1795/4885TDP1 2169/4885
US-20250171404-A1 PCNA INHIBITORS AND USES THEREOF PCNA, MKI67, PCLAF DHFR 419/4885MAPT 3233/4885TDP1 370/4885
US-10844029-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors TPH1, HTR5A, HTR2C DHFR 739/4885MAPT 1795/4885TDP1 2169/4885

“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.