SCHEMBL4585499

SCHEMBL4585499

COc1ccc(-c2nc3cccc(C(CC[C@H](C)O)n4cnc(C(N)=O)c4)c3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.55
HTR3A P46098 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
IKBKB O14920 1/20 0.38
LMNA P02545 1/20 0.38
MET P08581 1/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PARP1 P09874 1/20 0.35
TP53 P04637 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 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 SCHEMBL4582809 0.99 ADA (0.54) ADAHTR3AMAPTSMN1; SMN2NPC1
SCHEMBL4582914 0.91 ADA (0.57) ADANPC1RAB9AIKBKB
SCHEMBL4583436 0.90 ADA (0.68) ADAHTR3AIKBKB
SCHEMBL4584649 0.89 ADA (0.49) ADAHTR3AMAPTSMN1; SMN2NPC1
SCHEMBL4583380 0.87 ADA (0.55) ADAHTR3AMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL4583542 0.86 ADA (0.54) ADAHTR3AMAPTNPC1ALDH1A1
SCHEMBL4584306 0.83 ADA (0.50) ADAMAPTSMN1; SMN2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4583751 0.82 ADA (0.49) ADAMAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4585493 0.81 ADA (0.82) ADAHTR3AMAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4582807 0.81 ADA (0.81) ADAHTR3AMAPTSMN1; SMN2NPC1

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 1/4885HTR3A 747/4885MAPT 4738/4885

“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.