SCHEMBL6454408

SCHEMBL6454408

COc1ccc(-c2ccn(-c3ncccc3C)n2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.46
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CRHR1 P34998 3/20 0.41
NOTUM Q6P988 1/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL6454162 0.93 CYP19A1 (0.46) IDH1GAAMGAMSIMGAM2
SCHEMBL6448367 0.86 MAPT (0.39) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6454448 0.84 TLR9 (0.45) NPC1RAB9AL3MBTL1CAPN1
SCHEMBL6451085 0.84 IDH1 (0.43) IDH1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL6448695 0.81 MAPT (0.50) IDH1NOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL6453926 0.80 LMNA (0.37) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6448325 0.78 MAPT (0.38) GAACRHR1NPC1RAB9ASMN1; SMN2
SCHEMBL6460828 0.78 CYP19A1 (0.43) IDH1GAANPC1RAB9ASMN1; SMN2
SCHEMBL6449646 0.76 CYP19A1 (0.44) IDH1GAAMGAMSIMGAM2
SCHEMBL6450814 0.76 MAPT (0.52) GAANPC1RAB9ASMN1; SMN2ALDH1A1

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 1 patent. 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

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 IDH1 89/4885GAA 519/4885MGAM 4379/4885

“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.