SCHEMBL1696116

SCHEMBL1696116

COc1ccc(C(Nc2ccccc2)C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
CHRNA7 P36544 1/20 0.47
MEN1 O00255 8/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
PABPC1 P11940 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
PRSS3 P35030 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL16476684 1.00 KMT2A (0.53) KMT2AALDH1A1POLBCHRNA7MEN1
SCHEMBL16476744 0.86 KMT2A (0.47) KMT2AALDH1A1POLBCHRNA7MEN1
SCHEMBL1696304 0.86 KMT2A (0.47) KMT2AALDH1A1POLBCHRNA7MEN1
SCHEMBL16476740 0.84 KMT2A (0.45) KMT2AALDH1A1POLBCHRNA7MEN1
SCHEMBL1696316 0.84 KMT2A (0.45) KMT2AALDH1A1POLBCHRNA7MEN1
SCHEMBL12073583 0.83 FFAR1 (0.54) KMT2AMEN1PABPC1F2F10
SCHEMBL1696158 0.83 FFAR1 (0.54) KMT2AMEN1PABPC1F2F10
SCHEMBL1696129 0.82 KMT2A (0.46) KMT2AALDH1A1POLBCHRNA7MEN1
SCHEMBL16476747 0.82 KMT2A (0.46) KMT2AALDH1A1POLBCHRNA7MEN1
SCHEMBL12073589 0.81 RAB9A (0.46) KMT2AALDH1A1POLBMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585457-B1 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA (IT) 2015-07-22 EP disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
US-8629160-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-14 US disclosed
EP-2585457-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF Chiesi Farmaceutici S.p.A. (IT) 2013-05-01 EP disclosed
WO-2011160918-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-29 WO disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 US disclosed
US-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2011-12-22 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-20110311461-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM2, CHRM5 KMT2A 869/4885ALDH1A1 1852/4885POLB 3670/4885

“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.