SCHEMBL6448933

SCHEMBL6448933

Oc1ccccc1-c1ccnn1-c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
BACE1 P56817 2/20 0.46
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 6/20 0.40
KDM5B Q9UGL1 6/20 0.40
KDM5A P29375 5/20 0.40
HSP90AA1 P07900 2/20 0.40
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
RAB9A P51151 2/20 0.38
IDO1 P14902 1/20 0.38
CYP19A1 P11511 1/20 0.38
OXTR P30559 3/20 0.38
AVPR1A P37288 2/20 0.37
KDM4A O75164 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL13522945 0.78 HSP90AA1 (0.51) ALDH1A1HPGDHSD17B10KDM5AHSP90AA1
SCHEMBL6450478 0.77 PDCD1 (0.49) BCHEACHEBACE1ALDH1A1HPGD
SCHEMBL22349328 0.76 KDM5A (0.59) BCHEACHEBACE1KDM4CKDM5B
SCHEMBL6448862 0.76 ALDH1A1 (0.46) BCHEACHEBACE1ALDH1A1HPGD
SCHEMBL9697055 0.75 RAB9A (0.44) BCHEACHEBACE1ALDH1A1HPGD
SCHEMBL3359356 0.74 GRM4 (0.56) ALDH1A1HPGDHSD17B10KDM4CKDM5B
SCHEMBL625870 0.73 HSP90AA1 (0.68) HSP90AA1IDO1KDM4E
SCHEMBL17086621 0.71 KDM4C (0.57) ACHEBACE1ALDH1A1HSD17B10KDM4C
SCHEMBL6449004 0.71 GRM5 (0.50) BCHEACHEBACE1ALDH1A1HPGD
SCHEMBL6452314 0.71 ALDH1A1 (0.47) BCHEACHEBACE1ALDH1A1HPGD

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC BCHE 773/4885ACHE 2052/4885BACE1 3051/4885

“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.