SCHEMBL7124937

SCHEMBL7124937

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2ncc(Cl)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
CHRNA7 P36544 5/20 0.36
F10 P00742 10/20 0.35
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
HPGD P15428 1/20 0.33
CHRND Q07001 1/20 0.33
CHRNA2 Q15822 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F2 P00734 1/20 0.32
ALOX5 P09917 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
SCHEMBL7116913 0.88 HDAC6 (0.39) HDAC6CHRNA7MEN1KMT2AALOX5
SCHEMBL7123390 0.86 HDAC6 (0.38) HDAC6CHRNA7F10ALOX5
SCHEMBL7123327 0.85 MLYCD (0.38) HDAC6CHRNA7CHRNB2CHRNA4ALOX5
SCHEMBL7122356 0.85 HDAC6 (0.37) HDAC6CHRNA7ALOX5
SCHEMBL7123354 0.85 HDAC6 (0.37) HDAC6CHRNA7CHRNB2CHRNA4ALOX5
SCHEMBL7121893 0.85 HDAC6 (0.38) HDAC6CHRNA7F10MEN1KMT2A
SCHEMBL7114408 0.85 HDAC6 (0.37) HDAC6CHRNA7ALDH1A1HPGDALOX5
SCHEMBL7222700 0.84 SLC6A4 (0.37) HDAC6CHRNA7F10CHRNB2CHRNA4
SCHEMBL7127427 0.84 F10 (0.38) CHRNA7F10CHRNB2CHRNA4CHRNB4
SCHEMBL7124938 0.83 CHRNB2 (0.43) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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 HDAC6 760/4885CHRNA7 397/4885F10 4216/4885

“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.