SCHEMBL13456646

SCHEMBL13456646

CCOc1cc(C(=O)Nc2ccc(C)c(-c3nc4ccccc4[nH]3)c2)cc(OCC)c1OCC

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HPSE Q9Y251 1/20 0.57
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ CACNA1B Q00975 1/20 0.54
▸ APBA1 Q02410 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ LDLR P01130 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL29373842 0.90 MAPT (0.65) MAPTSMN1; SMN2TP53MEN1HTT
SCHEMBL30445827 0.90 MAPT (0.65) MAPTSMN1; SMN2TP53MEN1HTT
SCHEMBL10063837 0.90 MAPT (0.65) MAPTSMN1; SMN2TP53MEN1HTT
SCHEMBL13480571 0.83 MAPT (0.52) MAPTSMN1; SMN2TP53MEN1POLB
SCHEMBL13679715 0.82 MAPT (0.69) MAPTSMN1; SMN2TP53ADORA2AMEN1
SCHEMBL13679540 0.79 RAF1 (0.59) MAPTHPSERECQLADORA2AMEN1
SCHEMBL13679573 0.79 ADORA2A (0.57) MAPTHPSERECQLADORA2AMEN1
SCHEMBL5822958 0.79 MAPT (0.72) MAPTSMN1; SMN2TP53MEN1HTT
SCHEMBL14615299 0.78 MAPT (0.66) MAPTTP53HPSEMEN1HTT
SCHEMBL13679559 0.78 MEN1 (0.78) MAPTSMN1; SMN2TP53HPSEADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069386-A1 Modulators of Hedgehog Signaling Pathways, Compositions and Uses Related Thereto THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE 2010-03-18 — — 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-20100069386-A1 Modulators of Hedgehog Signaling Pathways, Compositions and Uses Related Thereto SHH, SMO, GLI1 MAPT 4506/4885SMN1; SMN2 4522/4885TP53 571/4885

“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.

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