SCHEMBL6449688

SCHEMBL6449688

Cn1nc(-c2ncccc2C(F)(F)F)nc1-c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 1/20 0.47
MAPT P10636 7/20 0.40
TDP1 Q9NUW8 5/20 0.40
THRB P10828 1/20 0.40
HSD11B1 P28845 1/20 0.39
IDO1 P14902 2/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 3/20 0.36
TRPV1 Q8NER1 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX12 P18054 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL6448670 0.87 MAPT (0.44) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL6449822 0.83 KDM4E (0.38) MEN1KMT2APAX8MAPTKDM4E
SCHEMBL6454678 0.81 CYP19A1 (0.42) MEN1KMT2ANPC1HSD11B1IDO1
SCHEMBL6450036 0.80 F12 (0.48) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL6450410 0.78 GRK6 (0.47) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL10666110 0.72 HSD11B1 (0.47) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL9829125 0.72 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL14746834 0.71 CDK2 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6456605 0.71 CASP6 (0.38) NPC1IDO1ALDH1A1HTTCASP6
SCHEMBL6453914 0.70 HSD17B2 (0.40) MEN1KMT2ANPC1RAB9AMAPT

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 MEN1 3473/4885KMT2A 3600/4885NPC1 59/4885

“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.