SCHEMBL4584306

SCHEMBL4584306

C[C@H](O)CCC(c1cccc2nc(-c3cccs3)oc12)n1cnc(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.50
PDE4C Q08493 1/20 0.39
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 2/20 0.35
F2 P00734 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.34
PPARG P37231 2/20 0.34
NCOA2 Q15596 2/20 0.34
NCOA1 Q15788 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
RET P07949 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.34

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
Hydrochloric Acid SCHEMBL4583751 0.99 ADA (0.49) ADAPDE4CALDH1A1MEN1KMT2A
SCHEMBL4585295 0.88 ADA (0.44) ADAPDE4CALDH1A1MEN1KMT2A
SCHEMBL4584029 0.88 ADA (0.46) ADA
SCHEMBL4584630 0.85 ADA (0.46) ADAPPARG
SCHEMBL4582914 0.85 ADA (0.57) ADA
SCHEMBL4583436 0.84 ADA (0.68) ADA
Hydrochloric Acid SCHEMBL4582960 0.84 ADA (0.46) ADA
SCHEMBL4585499 0.83 ADA (0.55) ADAALDH1A1HPGDSMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL4582809 0.82 ADA (0.54) ADAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4584299 0.82 ADA (0.74) ADAPDE4CALDH1A1MEN1KMT2A

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 2 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

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 1/4885PDE4C 171/4885ALDH1A1 76/4885

“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.