SCHEMBL6135425

SCHEMBL6135425

CC(C)(C)c1ccc(-c2n[c]no2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOTUM Q6P988 1/20 0.44
KIF11 P52732 3/20 0.42
IKBKB O14920 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
S1PR1 P21453 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL3965118 0.81 LMNA (0.44) RAB9ANPC1KDM4ELMNAHPGD
SCHEMBL5552360 0.79 NPC1 (0.42) RAB9ANPC1KDM4ETP53TSHR
SCHEMBL1546620 0.75 NPC1 (0.41) RAB9ANPC1KDM4ETP53TSHR
SCHEMBL1546047 0.75 NPC1 (0.48) RAB9ANPC1KDM4ETP53TSHR
SCHEMBL2333242 0.74 NPC1 (0.47) RAB9ANPC1KDM4ETP53MAPT
SCHEMBL795461 0.74 NPC1 (0.44) RAB9ANPC1KDM4ETP53TSHR
SCHEMBL3475309 0.72 TP53 (0.46) RAB9ANPC1KDM4ETP53LMNA
SCHEMBL77062 0.70 NPC1 (0.61) RAB9ANPC1KDM4ETP53LMNA
SCHEMBL3293191 0.70 NPC1 (0.75) RAB9ANPC1KDM4ETP53LMNA
SCHEMBL2623780 0.70 NPC1 (0.75) RAB9ANPC1KDM4ETP53LMNA

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-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed
US-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ASTELLAS PHARMA INC. (JP) 2004-05-20 US disclosed
EP-1261589-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP disclosed
WO-2001053271-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-26 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-20040097571-A1 Imidazole compounds and their use as adenosine deaminase inhibitors ADA, AMPD2, AMPD1 RAB9A 2205/4885NPC1 1160/4885KDM4E 1634/4885

“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.