SCHEMBL16494841

SCHEMBL16494841

COc1ccc(CNC(=O)Oc2ccc3c(c2)CCN3Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.56
MAPT P10636 3/20 0.56
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALOX5 P09917 1/20 0.50
EPHX2 P34913 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
POLB P06746 1/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48

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
SCHEMBL16494808 0.94 ACHE (0.62) ACHEMAPTALDH1A1ALOX5EPHX2
SCHEMBL16494249 0.92 ACHE (0.55) ACHEMAPTHDAC1HDAC6LMNA
SCHEMBL16494169 0.92 ACHE (0.56) ACHEMAPTHDAC1HDAC6ALOX5
SCHEMBL16494587 0.90 TAAR1 (0.60) ACHEMAPTHDAC1HDAC6SMN1; SMN2
SCHEMBL16494522 0.90 NPC1 (0.61) ACHEMAPTHDAC1HDAC6ALOX5
SCHEMBL16495028 0.88 ACHE (0.56) ACHEMAPTALDH1A1ALOX5EPHX2
SCHEMBL16494492 0.88 ACHE (0.52) ACHEHDAC1HDAC6ALDH1A1ADRB3
SCHEMBL16494639 0.87 ACHE (0.62) ACHEMAPTHDAC1HDAC6LMNA
SCHEMBL16494058 0.86 ACHE (0.61) ACHEHDAC1HDAC6ADRB2ADRB1
SCHEMBL16494294 0.85 ACHE (0.59) ACHEADRB2ADRB1ADRB3

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 2/4885MAPT 2067/4885HDAC1 154/4885

“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.