SCHEMBL4584419

SCHEMBL4584419

Cc1cccc2oc(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
LMNA P02545 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL16231622 0.92 CEPT1 (0.54) CEPT1NPC1RAB9AHPGDHSD17B10
SCHEMBL13494491 0.87 SMN1; SMN2 (0.51) CEPT1NPC1RAB9AHPGDTSHR
SCHEMBL7298455 0.85 CEPT1 (0.52) CEPT1NPC1RAB9AHPGDTSHR
SCHEMBL14669304 0.84 CEPT1 (0.47) CEPT1NPC1RAB9AHSD17B10KDM4E
SCHEMBL9820032 0.84 UTRN (0.54) CEPT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1921033 0.84 NPC1 (0.57) CEPT1NPC1RAB9AHPGDTSHR
SCHEMBL5361782 0.83 CEPT1 (0.48) CEPT1NPC1RAB9AHPGDHSD17B10
SCHEMBL5361789 0.83 CEPT1 (0.48) CEPT1NPC1RAB9AHPGDHSD17B10
SCHEMBL24871289 0.81 NPC1 (0.61) CEPT1NPC1RAB9AHPGDHSD17B10
SCHEMBL19663011 0.81 NPC1 (0.51) CEPT1NPC1RAB9AHPGDHSD17B10

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 CEPT1 797/4885NPC1 1630/4885RAB9A 2624/4885

“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.