SCHEMBL2485050

SCHEMBL2485050

Cc1ccc(CNC(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
PKM P14618 1/20 0.54
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46
HAT1 O14929 2/20 0.45
EP300 Q09472 2/20 0.45
MEP1B Q16820 2/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL27827175 0.88 MEN1 (0.59) SMN1; SMN2MEN1KMT2AMEP1BCNR2
SCHEMBL19248981 0.88 MEN1 (0.59) SMN1; SMN2MEN1KMT2AMEP1BCNR2
SCHEMBL1696017 0.88 MEN1 (0.59) SMN1; SMN2MEN1KMT2AMEP1BCNR2
SCHEMBL6243334 0.85 ALDH1A1 (0.55) MEN1KMT2AHPGDMEP1B
SCHEMBL11350168 0.84 CYP1A2 (0.56) SMN1; SMN2MEN1KMT2AHAT1EP300
SCHEMBL16664378 0.84 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AHAT1
SCHEMBL3777697 0.84 MEN1 (0.52) MEN1KMT2AF2F10PRSS1
SCHEMBL2485602 0.84 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AHAT1
SCHEMBL2486055 0.83 ATM (0.64) MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL2484892 0.83 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AHAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP claimed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US claimed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN claimed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP claimed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US claimed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO claimed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 WO 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 (2 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG SMN1; SMN2 3930/4885MEN1 4121/4885KMT2A 1874/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG SMN1; SMN2 3930/4885MEN1 4121/4885KMT2A 1874/4885

“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.