SCHEMBL6449871

SCHEMBL6449871

COc1ccc(OCc2ccccc2)c(-c2ccn(Cc3ccc4ccccc4n3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 2/20 0.41
PDE10A Q9Y233 2/20 0.41
ALOX5AP P20292 3/20 0.41
CYSLTR1 Q9Y271 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYP3A4 P08684 1/20 0.40
STAT3 P40763 1/20 0.40
PPARG P37231 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39

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
SCHEMBL6449630 0.84 SYK (0.54) HTT
SCHEMBL6450412 0.82 GUSB (0.43) SMN1; SMN2MAPTCYP1A2PDE10AALOX5AP
SCHEMBL6454291 0.79 HTT (0.42) HTTSMN1; SMN2MAPTCYP1A2PDE10A
SCHEMBL6450501 0.77 KMT2A (0.41) HTTSMN1; SMN2MAPT
SCHEMBL6530306 0.72 SYK (0.47) HTTSMN1; SMN2MAPT
SCHEMBL6088393 0.69 CYSLTR1 (0.60) MAPTCYP1A2CYSLTR1CYSLTR2CYP3A4
SCHEMBL6448897 0.68 MAOB (0.48)
SCHEMBL28535273 0.68 PDE10A (0.48) CYP1A2PDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL8732702 0.67 PDE10A (0.66) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL10547803 0.67 CYSLTR1 (0.69) PDE10ACYSLTR1CYSLTR2GPBAR1

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 HTT 1540/4885SMN1; SMN2 4633/4885MAPT 2805/4885

“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.