SCHEMBL404305

SCHEMBL404305

CC(=O)N1CCN(c2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 2/20 0.50
POLB P06746 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
PAX8 Q06710 1/20 0.49
PDGFRB P09619 1/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CXCR2 P25025 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL404003 0.84 RAB9A (0.53) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL404752 0.82 RAB9A (0.60) MAPTALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL402941 0.81 RAB9A (0.58) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4972061 0.81 RAB9A (0.57) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL402823 0.81 SMO (0.59) MAPTALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL403537 0.80 SMO (0.54) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4971825 0.80 RAB9A (0.54) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL10238467 0.80 SMO (0.54) MAPTALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL4972268 0.80 SMO (0.52) MAPTALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL4968074 0.80 SMO (0.52) MAPTALDH1A1SMN1; SMN2NPC1KMT2A

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
EP-1957461-B1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH INC (US) 2016-11-02 EP disclosed
US-8101610-B2 Blocking signals; anticancer agents GENENTECH, INC. (US) 2012-01-24 US disclosed
US-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling GENENTECH INC. (US) 2008-10-30 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-20080269215-A1 Bisamide Inhibitors of Hedgehog Signaling SHH, GLI1, SMO MAPT 2726/4885ALDH1A1 2103/4885SMN1; SMN2 4415/4885

“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.