SCHEMBL4524433

SCHEMBL4524433

COc1c(C(=O)CBr)ccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.59
PTPN1 P18031 2/20 0.58
HPGD P15428 2/20 0.56
CYP1A1 P04798 2/20 0.55
CYP1B1 Q16678 2/20 0.55
LMNA P02545 2/20 0.51
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29503822 1.00 HPGDS (0.59) HPGDSPTPN1HPGDCYP1A1CYP1B1
SCHEMBL9856951 0.86 HPGD (0.57) HPGDSHPGDCYP1A1CYP1B1LMNA
SCHEMBL4828413 0.86 HPGD (0.57) HPGDSHPGDCYP1A1CYP1B1LMNA
SCHEMBL9371365 0.82 CYP1A1 (0.56) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL18288048 0.82 HPGD (0.63) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL4831696 0.81 HPGD (0.52) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL4135870 0.80 HPGD (0.61) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL1671110 0.80 CYP1A1 (0.64) HPGDCYP1A1CYP1B1LMNARAB9A
SCHEMBL2120169 0.79 PTPN1 (0.55) HPGDSPTPN1HPGDLMNAKDM4E
SCHEMBL2747356 0.79 HPGD (0.60) HPGDCYP1A1CYP1B1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109914-A1 IMIDAZOTHIAZOLE COMPOUNDS AND ANALOGS THEREOF AND METHODS FOR TREATING NEMATODE INFECTIONS IN PLANTS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-04-04 US disclosed
WO-2022150920-A1 IMIDAZOTHIAZOLE COMPOUNDS AND ANALOGS THEREOF AND METHODS FOR TREATING NEMATODE INFECTIONS IN PLANTS The Governing Council of the University of Toronto (CA) 2022-07-21 WO disclosed
WO-2022050774-A1 NOVEL IMIDAZOLE DERIVATIVE SALT HAVING ANTIFUNGAL ACTIVITY, AND USE THEREOF 경희대학교 산학협력단 2022-03-10 WO disclosed
WO-2021125905-A1 NOVEL THIAZOLE DERIVATIVE AND USE THEREOF 가천대학교 산학협력단 2021-06-24 WO disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-20090018150-A1 5-Ht2b Receptor Antagonists ASTERAND UK LIMITED (GB) 2009-01-15 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO disclosed
US-5523307-A CEREBROVASCULAR DISORDERS EISAI CO., LTD. (JP) 1996-06-04 US disclosed
US-5196439-A Piperidine compounds useful to treat cerebrovascular diseases EISAI CO., LTD. (JP) 1993-03-23 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 (2 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-20090018150-A1 5-Ht2b Receptor Antagonists HTR2B, HTR1B, HTR3B HPGDS 2154/4885PTPN1 2006/4885HPGD 1962/4885
US-20240109914-A1 IMIDAZOTHIAZOLE COMPOUNDS AND ANALOGS THEREOF AND METHODS FOR TREATING NEMATODE INFECTIONS IN PLANTS NISCH, ABAT, ICMT HPGDS 1367/4885PTPN1 3372/4885HPGD 458/4885

“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.