SCHEMBL1969487

SCHEMBL1969487

CN(C)C(=O)c1cc[c]c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.33
KEAP1 Q14145 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
MAP4K1 Q92918 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL3542233 0.74 SLC6A4 (0.44) ALDH1A1SMN1; SMN2HPGDMAPTPDK2
SCHEMBL3791684 0.74 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1713036 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1969488 0.70 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL23021682 0.68 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL6498534 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL30295770 0.67 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4323616 0.67 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL20899098 0.67 KEAP1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL19785397 0.67 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 ALDH1A1 1864/4885SMN1; SMN2 785/4885MEN1 138/4885

“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.