SCHEMBL4584082

SCHEMBL4584082

Clc1ccc(-c2nc3c(CBr)cccc3o2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.47
BCHE P06276 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CASP3 P42574 2/20 0.40
SENP7 Q9BQF6 2/20 0.40
ADK P55263 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HTR3A P46098 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSPD1 P10809 1/20 0.39
PTPN2 P17706 1/20 0.39

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
SCHEMBL10852711 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CASP3SENP7SENP6HTR3A
SCHEMBL18935867 0.82 PTPN1 (0.42) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5337672 0.78 PTPN1 (0.43) ADAKDM4EALDH1A1HPGDNPC1
SCHEMBL4584419 0.77 CEPT1 (0.49) SMN1; SMN2CASP3SENP7ADKSENP6
SCHEMBL10849392 0.77 TOP2A (0.44) ADASMN1; SMN2CASP3SENP7ADK
SCHEMBL4583536 0.73 HTR3A (0.44) ADABCHESMN1; SMN2CASP3SENP7
SCHEMBL28689525 0.73 SMN1; SMN2 (0.50) BCHESMN1; SMN2CASP3SENP7ADK
SCHEMBL120321 0.73 HTR3A (0.54) ADASMN1; SMN2CASP3SENP7ADK
SCHEMBL206391 0.71 PARP1 (0.53) ADAADKHTR3AMAOAADRA1A
SCHEMBL22085411 0.71 ADK (0.47) BCHESMN1; SMN2CASP3SENP7ADK

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 ADA 1/4885BCHE 877/4885SMN1; SMN2 1957/4885

“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.