SCHEMBL4583536

SCHEMBL4583536

O=Cc1cccc2oc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.44
HSPD1 P10809 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
HSPE1 P61604 2/20 0.41
PTPN5 P54829 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ADK P55263 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
BCHE P06276 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL7302599 0.86 TOP2A (0.47) HTR3ASMN1; SMN2CASP3SENP7SENP6
SCHEMBL4584419 0.77 CEPT1 (0.49) HTR3ASMN1; SMN2ADKCASP3SENP7
SCHEMBL120321 0.77 HTR3A (0.54) HTR3AHSPD1PTPN2PTPN1HSPE1
SCHEMBL4583990 0.77 ESR1 (0.51) HTR3AHSPD1PTPN2PTPN1HSPE1
SCHEMBL10085616 0.75 MAPT (0.41) SMN1; SMN2KDM4EALDH1A1LMNAHSD17B10
SCHEMBL206391 0.74 PARP1 (0.53) HTR3AADKIKBKBADAMAOA
SCHEMBL6045554 0.74 ERN1 (0.49) SMN1; SMN2KDM4EALDH1A1MAOATOP2A
SCHEMBL4584082 0.73 ADA (0.47) HTR3AHSPD1PTPN2PTPN1HSPE1
SCHEMBL28689525 0.73 SMN1; SMN2 (0.50) HTR3AHSPD1PTPN2PTPN1HSPE1
SCHEMBL22085411 0.71 ADK (0.47) HSPD1PTPN2PTPN1HSPE1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317107-B2 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 US disclosed
EP-1474421-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed
WO-2003068768-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 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 (1 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-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ADA, AMPD2, AMPD1 HTR3A 747/4885HSPD1 1922/4885PTPN2 3133/4885

“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.