SCHEMBL4583695

SCHEMBL4583695

C[C@H](O)CCC(c1cccc2oc(-c3ccccc3)nc12)n1cnc(C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.57
TOP2A P11388 1/20 0.37
HTR3A P46098 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CEPT1 Q9Y6K0 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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 SCHEMBL4582966 0.99 ADA (0.56) ADATOP2AHTR3AALDH1A1CEPT1
SCHEMBL4582826 0.92 ADA (0.59) ADAHTR3ACEPT1
Hydrochloric Acid SCHEMBL4583285 0.91 ADA (0.67) ADAHTR3AALDH1A1KDM4ENPC1
SCHEMBL4583595 0.91 ADA (0.55) ADAALDH1A1KDM4EPOLBNPC1
SCHEMBL4583484 0.91 ADA (0.57) ADAPKMNPC1RAB9A
SCHEMBL4583380 0.91 ADA (0.55) ADAHTR3AALDH1A1KDM4EUSP2
Hydrochloric Acid SCHEMBL4585538 0.90 ADA (0.54) ADAALDH1A1KDM4EPOLBNPC1
Hydrochloric Acid SCHEMBL4583542 0.90 ADA (0.54) ADAHTR3AALDH1A1KDM4EUSP2
Hydrochloric Acid SCHEMBL4584745 0.90 ADA (0.56) ADAPKMNPC1RAB9A
SCHEMBL4584348 0.89 ADA (0.54) ADAALDH1A1KDM4ERAB9A

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 5 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 claimed
EP-1474421-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP claimed
WO-2003068768-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO claimed
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 1/4885TOP2A 860/4885HTR3A 747/4885

“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.