SCHEMBL7118019

SCHEMBL7118019

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nnc(C(F)(F)F)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.37
HDAC6 Q9UBN7 9/20 0.37
CHRNA7 P36544 1/20 0.34
MLYCD O95822 1/20 0.32
HDAC1 Q13547 1/20 0.32
CCR2 P41597 1/20 0.31

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
SCHEMBL7127454 0.85 HDAC6 (0.38) HDAC6CHRNA7
SCHEMBL7124903 0.85 HDAC6 (0.38) HDAC6CHRNA7
SCHEMBL7122608 0.85 CHRNA7 (0.34) HDAC4HDAC6CHRNA7MLYCDCCR2
SCHEMBL7115013 0.84 SLC6A2 (0.38) HDAC6CHRNA7
SCHEMBL7117824 0.84 HDAC4 (0.36) HDAC4HDAC6CHRNA7MLYCDHDAC1
SCHEMBL7114339 0.83 HDAC6 (0.39) HDAC6CHRNA7
SCHEMBL7117160 0.83 SLC6A2 (0.37) HDAC6CHRNA7
SCHEMBL7117047 0.82 HDAC6 (0.36) HDAC6CHRNA7
SCHEMBL7124198 0.82 HDAC4 (0.34) HDAC4HDAC6CHRNA7MLYCDCCR2
SCHEMBL7116052 0.81 CHRNA7 (0.36) HDAC6CHRNA7

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 HDAC4 1755/4885HDAC6 760/4885CHRNA7 397/4885

“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.