SCHEMBL1696304

SCHEMBL1696304

COc1ccc(C(Nc2cccc(F)c2)C(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.42
CHRNA7 P36544 1/20 0.40
MEN1 O00255 5/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MTOR P42345 1/20 0.39
CA12 O43570 1/20 0.39
MMP2 P08253 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL16476744 1.00 KMT2A (0.47) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL16476684 0.86 KMT2A (0.53) KMT2ANPC1LMNARAB9AKDM4E
SCHEMBL1696116 0.86 KMT2A (0.53) KMT2ANPC1LMNARAB9AKDM4E
SCHEMBL1696316 0.84 KMT2A (0.45) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL16476740 0.84 KMT2A (0.45) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL12073589 0.81 RAB9A (0.46) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL1696185 0.81 RAB9A (0.46) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL1696156 0.79 CHRM3 (0.44) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL1696161 0.79 CHRM3 (0.44) KMT2ANPC1LMNARAB9ASMN1; SMN2
SCHEMBL16476743 0.79 CHRM3 (0.44) KMT2ANPC1LMNARAB9ASMN1; SMN2

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 5 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
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

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 869/4885NPC1 3313/4885LMNA 2876/4885

“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.