SCHEMBL6448853

SCHEMBL6448853

COc1ccc(O)c(-c2ccnn2Cc2ccc3ccccc3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCHR1 Q99705 1/20 0.40
CCR8 P51685 1/20 0.38
PDE10A Q9Y233 3/20 0.38
NPC1 O15118 2/20 0.38
ALOX5AP P20292 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL6448824 0.82 GRIN1 (0.46) SMN1; SMN2MAPTALDH1A1KDM4EMAPK1
SCHEMBL6454291 0.82 HTT (0.42) SMN1; SMN2MAPTCYP1A2CYP3A4PDE10A
SCHEMBL6450412 0.77 GUSB (0.43) GUSBSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8447012 0.73 POLB (0.45) SMN1; SMN2MAPTCYP1A2CYP2E1CYP3A4
SCHEMBL6450170 0.67 MAPT (0.48) SMN1; SMN2MAPTALDH1A1LMNAALOX15
SCHEMBL7457140 0.65 PDE10A (0.60) PDE10AALOX5AP
SCHEMBL8732702 0.64 PDE10A (0.66) PDE10A
SCHEMBL7714639 0.63 GPBAR1 (0.70) PDE10A
SCHEMBL3136726 0.63 GUSB (0.69) GUSBSMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL13523024 0.63 KDM6B (0.68) GUSBSMN1; SMN2MAPTALDH1A1NPC1

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 GUSB 703/4885SMN1; 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.