SCHEMBL6448829

SCHEMBL6448829

O=C(NNC(=O)c1c(O)ccc2ccccc12)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
CNR2 P34972 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
ALOX15 P16050 1/20 0.42
PPIA P62937 1/20 0.41
KAT6A Q92794 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX4 Q99571 1/20 0.41
P2RX7 Q99572 1/20 0.41
PTGS1 P23219 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40

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
SCHEMBL6470479 0.82 MEN1 (0.52) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL6449122 0.82 TLR7 (0.47) CNR2MEN1KMT2AKDM4ETRPV1
SCHEMBL9830646 0.80 GAA (0.75) LMNAGAAPPIAKAT6APTGS1
SCHEMBL6450629 0.78 GAA (0.64) LMNAGAAKDM4EHTTP2RX1
SCHEMBL6526653 0.76 HTT (0.54) LMNAGAAMEN1KMT2AKDM4E
SCHEMBL6460776 0.76 MEN1 (0.67) LMNAGAAMEN1KMT2AMAPT
SCHEMBL6454603 0.75 ALDH1A1 (0.64) GAAMEN1KMT2AKDM4EMAPT
SCHEMBL8358481 0.73 ALOX15 (0.54) GAAMEN1KMT2AKDM4EALOX15
SCHEMBL6454315 0.72 KAT6A (0.65) LMNAGAAMEN1KMT2AMAPT
SCHEMBL7189830 0.72 ABCG2 (0.55) GAAMEN1KMT2AKDM4EALOX15

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 1 patent. 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

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 LMNA 2406/4885GAA 519/4885CNR2 679/4885

“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.