SCHEMBL3436359

SCHEMBL3436359

Cc1ccccc1N1CCC(C(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.54
ALDH1A1 P00352 5/20 0.54
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.44
TDP2 O95551 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL2451467 0.91 TSHR (0.56) NOTUMALDH1A1TSHRGAAMEN1
SCHEMBL3436317 0.91 ALDH1A1 (0.62) ALDH1A1TSHRGAATDP1CA12
SCHEMBL28217779 0.87 TSHR (0.49) NOTUMALDH1A1TSHRSMN1; SMN2MEN1
SCHEMBL3436352 0.86 NOTUM (0.72) NOTUMTSHRMAPT
SCHEMBL2080779 0.83 NOTUM (0.55) NOTUMALDH1A1GAASMN1; SMN2MEN1
SCHEMBL3436316 0.80 TSHR (0.58) NOTUMALDH1A1TSHRLMNAHPGD
SCHEMBL19049632 0.80 TSHR (0.58) NOTUMALDH1A1TSHRCA12CA1
SCHEMBL3436333 0.78 NOTUM (0.60) NOTUMALDH1A1TSHRMEN1KMT2A
SCHEMBL5806589 0.78 TSHR (0.53) ALDH1A1TSHRCA12CA1CA2
SCHEMBL7444262 0.78 NOTUM (0.60) NOTUMALDH1A1TSHRMEN1KMT2A

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 3 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
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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 NOTUM 3349/4885ALDH1A1 975/4885TSHR 867/4885

“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.