SCHEMBL4583990

SCHEMBL4583990

O=Cc1cccc2nc(-c3ccc(Cl)cc3)oc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
DHODH Q02127 1/20 0.47
HTR3A P46098 1/20 0.44
MAOB P27338 3/20 0.43
HSPD1 P10809 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN5 P54829 1/20 0.41
HSPE1 P61604 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ELANE P08246 1/20 0.40
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL7298387 0.86 DHODH (0.57) ESR1ESR2DHODHHTR3ASMN1; SMN2
SCHEMBL28357340 0.82 ALDH1A1 (0.58) ESR1ESR2DHODHHTR3AMAOB
SCHEMBL7300298 0.77 F2 (0.57) ESR1ESR2DHODHSMN1; SMN2ELANE
SCHEMBL14266182 0.77 CETP (0.49) DHODHHTR3AMAOBHSPD1PTPN2
SCHEMBL19992707 0.77 SMN1; SMN2 (0.48) ESR1ESR2DHODHPTPN2PTPN1
SCHEMBL4583536 0.77 HTR3A (0.44) HTR3AMAOBHSPD1PTPN2PTPN1
SCHEMBL120313 0.77 DHODH (0.78) ESR1ESR2DHODHHTR3ASMN1; SMN2
SCHEMBL16383806 0.74 DHODH (0.62) ESR1ESR2DHODHHTR3ACASP3
SCHEMBL25898079 0.74 CYP1A1 (0.50) DHODHMAOBHSPD1PTPN2PTPN1
SCHEMBL26031831 0.71 SMN1; SMN2 (0.48) ESR1ESR2DHODHPTPN2PTPN1

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 ESR1 3185/4885ESR2 2816/4885DHODH 255/4885

“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.