SCHEMBL3436281

SCHEMBL3436281

Cc1ccccc1N1C[C@@H](C)N(CC(N)=O)[C@@H](C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
TSHR P16473 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AKR1C3 P42330 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ADRB1 P08588 1/20 0.37

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
SCHEMBL3435649 0.86 MEN1 (0.45) SIRT1SIRT2ALDH1A1MAPTPOLB
SCHEMBL3435994 0.80 HTR1A (0.53) SIRT1SIRT2ALDH1A1SMN1; SMN2MAPT
SCHEMBL3554355 0.79 ALDH1A1 (0.46) ARTSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL10278268 0.77 ALDH1A1 (0.41) ARTSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL28217779 0.75 TSHR (0.49) ARTSHRSIRT1SIRT2ALDH1A1
SCHEMBL3436283 0.75 SLC6A9 (0.53) SIRT1SIRT2ALDH1A1MAPT
SCHEMBL3436282 0.75 SLC6A9 (0.53) SIRT1SIRT2ALDH1A1MAPT
SCHEMBL3436278 0.75 LMNA (0.55) ARALDH1A1HPGDAKR1C3MAPT
SCHEMBL21964852 0.73 ALDH1A1 (0.50) ARTSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL10353420 0.70 ALDH1A1 (0.55) ARTSHRALDH1A1HPGDSMN1; SMN2

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 AR 16/4885TSHR 867/4885SIRT1 225/4885

“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.