SCHEMBL7127585

SCHEMBL7127585

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2nnc(C(F)(F)F)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CHRNA7 P36544 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MLYCD O95822 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 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
SCHEMBL7122440 0.85 HDAC6 (0.37) HDAC6LMNANPC1RAB9ACHRNA7
SCHEMBL7121893 0.85 HDAC6 (0.38) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL7115039 0.85 HDAC6 (0.38) HDAC6MEN1LMNAHPGDKMT2A
SCHEMBL7123272 0.84 HDAC6 (0.38) HDAC6TP53CHRNA7MAPTSLC6A2
SCHEMBL7123327 0.84 MLYCD (0.38) HDAC6CHRNA7MLYCDCCR2HDAC4
SCHEMBL7114502 0.84 CHRNA7 (0.33) HDAC6CHRNA7MLYCDCCR2HDAC4
SCHEMBL7127607 0.83 CHRNA7 (0.34) HDAC6CHRNA7MLYCDCCR2HDAC4
SCHEMBL7121247 0.83 SLC6A2 (0.37) HDAC6MEN1KMT2ANPC1RAB9A
SCHEMBL7126926 0.82 KMT2A (0.39) HDAC6MEN1LMNAKMT2ANPC1
SCHEMBL7125224 0.81 NPC1 (0.41) HDAC6MEN1LMNAHPGDKMT2A

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 760/4885MEN1 2572/4885LMNA 3819/4885

“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.