SCHEMBL16494249

SCHEMBL16494249

COc1cccc(CNC(=O)Oc2ccc3c(c2)CCN3Cc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAPT P10636 2/20 0.49
PKM P14618 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.48
MTNR1A P48039 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL16494841 0.92 ACHE (0.56) ACHEHDAC1HDAC6MAPTPOLB
SCHEMBL16494808 0.90 ACHE (0.62) ACHEMAPTALDH1A1
SCHEMBL16494492 0.88 ACHE (0.52) ACHEHDAC1HDAC6POLBMTNR1A
SCHEMBL16494539 0.86 ACHE (0.59) ACHEHDAC1HDAC6MAPTTP53
SCHEMBL16494169 0.86 ACHE (0.56) ACHEHDAC1HDAC6MAPTTP53
SCHEMBL16494058 0.85 ACHE (0.61) ACHEHDAC1HDAC6MTNR1A
SCHEMBL16494587 0.85 TAAR1 (0.60) ACHEHDAC1HDAC6MAPTMTNR1A
SCHEMBL16494522 0.85 NPC1 (0.61) ACHEHDAC1HDAC6MAPT
SCHEMBL16495028 0.84 ACHE (0.56) ACHEMAPTALDH1A1
SCHEMBL16494154 0.83 ACHE (0.51) ACHEHDAC1HDAC6MTNR1AALDH1A1

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-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP claimed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 US claimed
EP-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP disclosed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT ACHE 2/4885HDAC1 154/4885HDAC6 472/4885

“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.