SCHEMBL1624641

SCHEMBL1624641

Cc1ccc(NC(=O)c2ccc(N3CCOCC3)cc2)cc1-c1ncc(-c2ccccc2Cl)[nH]1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.51
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
RAF1 P04049 8/20 0.48
BRAF P15056 8/20 0.48
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL14305812 0.90 MAPT (0.43) MAPTGAANPC1MAPK1RAB9A
SCHEMBL1624986 0.87 MAPT (0.52) MAPTNPC1TP53PKMMAPK1
SCHEMBL1624435 0.87 RAF1 (0.49) MAPTNPC1TP53PKMMAPK1
SCHEMBL1624683 0.84 RAF1 (0.50) MAPTNPC1TP53PKMMAPK1
SCHEMBL1623221 0.83 RAF1 (0.57) MAPTRAF1BRAFSMN1; SMN2
SCHEMBL14305901 0.77 TBK1 (0.43) MAPTRAF1BRAFSMN1; SMN2MAPK14
SCHEMBL1624867 0.77 RAF1 (0.54) MAPTNPC1TP53PKMMAPK1
SCHEMBL1625768 0.76 MTOR (0.51) MAPTGAANPC1TP53PKM
SCHEMBL1623606 0.75 RAF1 (0.55) NPC1TP53PKMMAPK1RAB9A
SCHEMBL1625249 0.75 NPC1 (0.55) MAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US claimed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US claimed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-7928133-B2 Compounds and compositions as hedgehog signaling pathway modulators IRM LLC (BM) 2011-04-19 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 US disclosed
US-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS IRM LLC (BM) 2009-12-17 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-20090312308-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG SIGNALING PATHWAY MODULATORS GLI1, SHH, SMO MAPT 4300/4885GAA 2533/4885NPC1 792/4885

“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.