SCHEMBL6454166

SCHEMBL6454166

Cc1cccnc1-c1nc(-c2cc(Cl)ccc2O)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
IDO1 P14902 2/20 0.38
CCR9 P51686 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PIM1 P11309 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
SPR P35270 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
EPHX2 P34913 1/20 0.35
TLR8 Q9NR97 1/20 0.34
KDR P35968 1/20 0.34
TNKS O95271 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6453914 0.88 HSD17B2 (0.40) CYP19A1ALDH1A1SLC22A12SLC6A2HTT
SCHEMBL6449813 0.86 KDM4E (0.41) TRPV1ALDH1A1SMN1; SMN2SLC22A12SLC6A2
SCHEMBL6456605 0.86 CASP6 (0.38) IDO1ALDH1A1SLC22A12SPRSLC6A2
SCHEMBL6449658 0.84 CYP19A1 (0.46) CYP19A1IDO1ALDH1A1SPRTLR8
SCHEMBL6452679 0.84 MAPT (0.43) CYP19A1NR1H2NR1H3SMN1; SMN2HTT
SCHEMBL6460751 0.82 MAPK1 (0.46) CYP19A1NR1H2NR1H3ALDH1A1SMN1; SMN2
SCHEMBL6448670 0.81 MAPT (0.44) IDO1ALDH1A1SMN1; SMN2HTT
SCHEMBL6451328 0.78 IDH1 (0.47) CYP19A1IDO1ALDH1A1HTT
SCHEMBL6452464 0.77 GRM5 (0.45) CYP19A1TRPV1SMN1; SMN2EPHX2
SCHEMBL6454663 0.76 IDO1 (0.45) CYP19A1TRPV1IDO1ALDH1A1SMN1; SMN2

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 CYP19A1 523/4885TRPV1 1359/4885JAK2 524/4885

“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.