SCHEMBL5855697

SCHEMBL5855697

[NH]CC(F)(F)c1cccc[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
F2 P00734 16/20 0.33
F10 P00742 3/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4185769 0.81 LMNA (0.36) LMNAHTTF2F10RAB9A
SCHEMBL29427272 0.77 LMNA (0.43) LMNAHTTRAB9AKDM4ETDP1
SCHEMBL113414 0.77 LMNA (0.43) LMNAHTTRAB9AKDM4ETDP1
SCHEMBL14508590 0.73 F2 (0.32) LMNAHTTF2F10
SCHEMBL3476708 0.72 LMNA (0.46) LMNAHTTRAB9AKDM4ETDP1
SCHEMBL2616406 0.69 LMNA (0.48) LMNAHTTRAB9AKDM4ETDP1
Formic Acid SCHEMBL30297733 0.68 LMNA (0.35) LMNAHTTF2KDM4ETDP1
SCHEMBL6640541 0.65 LMNA (0.40) LMNAHTTRAB9AKDM4ETDP1
SCHEMBL30630362 0.65 LMNA (0.40) LMNAHTTRAB9AKDM4ETDP1
SCHEMBL6640669 0.64 LMNA (0.35) LMNAHTTKDM4ETDP1ALDH1A1

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-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 LMNA 4332/4885HTT 3320/4885F2 2/4885

“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.