SCHEMBL6451601

SCHEMBL6451601

Oc1ccc2ccccc2c1-c1nc(-c2cnccc2C(F)(F)F)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
SALL4 Q9UJQ4 3/20 0.36
HSD11B1 P28845 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ADORA2A P29274 1/20 0.34
ERN1 O75460 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CYP2C19 P33261 1/20 0.34
CASP7 P55210 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33

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
SCHEMBL6449864 0.84 CYP1A2 (0.39) DHODHSMN1; SMN2USP2CYP1A2CYP3A4
SCHEMBL6454714 0.82 ADORA2A (0.53) DHODHSMN1; SMN2ADORA2ACYP1A2CYP3A4
SCHEMBL6454617 0.79 JAK2 (0.40) DHODHSMN1; SMN2CYP11B1CYP11B2JAK2
SCHEMBL6449942 0.79 MEN1 (0.40) HSD11B1SMN1; SMN2ADORA2AALOX15KDM4E
SCHEMBL6448361 0.78 GRK6 (0.40) DHODHADORA2ACYP11B1CYP11B2KDM4E
SCHEMBL6451403 0.78 L3MBTL1 (0.43) SALL4SMN1; SMN2ADORA2AALOX15KDM4E
SCHEMBL6453583 0.78 JAK2 (0.58) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6451139 0.77 IDO1 (0.42) DHODHADORA2ACYP11B1CYP11B2KDM4E
SCHEMBL6461011 0.76 GRK6 (0.42) DHODHSMN1; SMN2ADORA2AKDM4EMAPT
SCHEMBL6453630 0.76 IDO1 (0.41) ADORA2AALOX15ALDH1A1MAPT

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 DHODH 319/4885SALL4 3871/4885HSD11B1 357/4885

“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.