SCHEMBL2483409

SCHEMBL2483409

Cc1ccccc1NC(C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGAV P06756 1/20 0.42
ITGA5 P08648 1/20 0.42
EGFR P00533 1/20 0.41

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
Hydrochloric Acid SCHEMBL1695958 0.98 RAB9A (0.47) RAB9ANPC1L3MBTL1HPGDPOLB
SCHEMBL7578887 0.88 LMNA (0.50) RAB9ANPC1L3MBTL1POLBALDH1A1
SCHEMBL7576033 0.85 L3MBTL1 (0.42) RAB9ANPC1L3MBTL1HPGDPOLB
SCHEMBL7574624 0.85 ALDH1A1 (0.42) RAB9ANPC1L3MBTL1HPGDPOLB
SCHEMBL7578510 0.83 MEN1 (0.49) POLBALDH1A1GAATDP1HTT
SCHEMBL7583940 0.83 BRD4 (0.57) RAB9AALDH1A1GAAHTT
SCHEMBL2485161 0.82 MEN1 (0.45) L3MBTL1POLBALDH1A1GAACYP3A4
Ammonia Solution, Strong SCHEMBL17997772 0.81 MEN1 (0.44) L3MBTL1POLBALDH1A1GAACYP3A4
SCHEMBL6543095 0.80 FPR2 (0.56) RAB9ANPC1L3MBTL1HPGDPOLB
SCHEMBL7575977 0.80 GAA (0.54) RAB9ANPC1HPGDALDH1A1KDM4E

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 34 patents — showing the first 20. 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
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
CN-107840859-A The cobalt complex and synthetic method that a kind of toluene and 2,2 ' bipyridyls are constructed 桂林理工大学 2018-03-27 CN disclosed
CN-107057078-A Novel magnetic polymeric material and synthetic method that a kind of toluene and 4,4 ' bipyridyls are constructed 桂林理工大学 2017-08-18 CN disclosed
CN-107056847-A Novel magnetic materials and synthetic method that a kind of toluene and 4,4 ' bipyridyls are constructed 桂林理工大学 2017-08-18 CN disclosed
CN-106995457-A Novel fluorescent material and synthetic method that a kind of toluene and 1,10 phenanthrolines are constructed 桂林理工大学 2017-08-01 CN disclosed
CN-106967123-A Manganese complex and synthetic method that a kind of toluene and 4,4 ' bipyridyls are constructed 桂林理工大学 2017-07-21 CN disclosed
CN-106967222-A Manganese complex and synthetic method that a kind of toluene and 2,2 ' bipyridyls are constructed 桂林理工大学 2017-07-21 CN disclosed
CN-106957343-A Cobalt complex and synthetic method that a kind of toluene and 1,10 phenanthrolines are constructed 桂林理工大学 2017-07-18 CN disclosed
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US 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
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed
EP-0006713-B1 NOVEL ALPHA-AMINO-PHENYLACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS HERBICIDAL, ALGICIDAL AND PLANT GROWTH REGULATING AGENTS, AND HERBICIDAL, ALGICIDAL AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-07-13 EP 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-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG RAB9A 1349/4885NPC1 3801/4885L3MBTL1 2749/4885

“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.