SCHEMBL4582914

SCHEMBL4582914

Cc1ccc(-c2nc3cccc(C(CC[C@H](C)O)n4cnc(C(N)=O)c4)c3o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADA P00813 9/20 0.57
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
IKBKB O14920 1/20 0.35
DHODH Q02127 1/20 0.34
CETP P11597 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CEPT1 Q9Y6K0 3/20 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
SCHEMBL4583436 0.92 ADA (0.68) ADAIKBKBDHODHMTNR1AMTNR1B
SCHEMBL4585499 0.91 ADA (0.55) ADANPC1RAB9AIKBKB
Hydrochloric Acid SCHEMBL4582809 0.90 ADA (0.54) ADANPC1RAB9AIKBKB
SCHEMBL4584056 0.87 ADA (0.50) ADANPC1RAB9AIKBKBDHODH
SCHEMBL4584029 0.86 ADA (0.46) ADA
SCHEMBL4584306 0.85 ADA (0.50) ADA
Hydrochloric Acid SCHEMBL4583751 0.84 ADA (0.49) ADA
SCHEMBL4584630 0.82 ADA (0.46) ADAIKBKB
Hydrochloric Acid SCHEMBL4582960 0.82 ADA (0.46) ADA
SCHEMBL4582912 0.80 ADA (0.86) ADAMTNR1AMTNR1B

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 claimed
US-20050159462-A1 Imidazole 4-carboxamide compounds with adenosine deaminase inhibiting activity ASTELLAS PHARMA INC. (JP) 2005-07-21 US 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 1/4885NPC1 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.