SCHEMBL6489296

SCHEMBL6489296

Cc1cccc(C)c1NC(=O)CN1CCNC(C)C1c1ncnc2sccc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
NR2F2 P24468 1/20 0.35
STAT3 P40763 1/20 0.35
PAK1 Q13153 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL6531817 0.76 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2GAAKMT2A
SCHEMBL6342770 0.74 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL6342765 0.74 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL6334608 0.74 LMNA (0.42) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL6532607 0.71 P2RX7 (0.43) ALDH1A1MAPTSMN1; SMN2GAALMNA
SCHEMBL6532211 0.68 HRH3 (0.36) ALDH1A1LMNAHTT
SCHEMBL6343148 0.65 ALDH1A1 (0.52) ALDH1A1POLBGAALMNAKMT2A
SCHEMBL6496972 0.65 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL6496976 0.65 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2POLBLMNA
SCHEMBL6487979 0.64 POLB (0.36) ALDH1A1MAPTSMN1; SMN2POLBGAA

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-20050272745-A1 Novel piperidine and piperazine derivatives ASTRAZENECA AB 2005-12-08 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-20050272745-A1 Novel piperidine and piperazine derivatives CYP3A5, IL5, ABCC5 ALDH1A1 187/4885MAPT 2904/4885SMN1; SMN2 3028/4885

“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.