SCHEMBL2175244

SCHEMBL2175244

O=C(O)NC1(c2ccc(NC(=O)OCc3ccccc3)cc2)CCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
KDM1A O60341 3/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
RCOR1 Q9UKL0 2/20 0.51
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ROCK2 O75116 1/20 0.48
MGLL Q99685 1/20 0.48
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TGM2 P21980 2/20 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
SCHEMBL12420252 0.87 POLB (0.47) POLBKDM1AMAOAMAOBRCOR1
SCHEMBL20079359 0.84 POLB (0.45) POLBKDM1AMAOAMAOBRCOR1
SCHEMBL18383469 0.82 CTSB (0.49) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL25384390 0.81 POLB (0.49) POLBKDM1AMAOAMAOBRCOR1
SCHEMBL2989044 0.79 CTSS (0.56) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2175248 0.79 TP53 (0.54) POLBKDM1AMAOAMAOBRCOR1
SCHEMBL16868073 0.77 MGLL (0.50) TSHRMGLLMEN1KMT2A
Benzyl Phenylcarbamate SCHEMBL1222943 0.77 POLB (0.78) POLBKDM1AMAOAMAOBRCOR1
SCHEMBL5097407 0.77 MIF (0.49) POLBNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6607260 0.77 NPC1 (0.55) POLBKDM1AMAOAMAOBRCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189036-B1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ARQULE INC (US) 2023-07-19 EP disclosed
CN-111494378-A Compositions and methods for treating proliferative disorders 艾科尔公司 2020-08-07 CN disclosed
CN-107074769-B Compositions and methods for treating proliferative disorders 艾科尔公司 2020-04-07 CN disclosed
US-9949981-B2 Compositions and methods for treating proliferation disorders ARQULE, INC. (US) 2018-04-24 US disclosed
EP-3189036-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ArQule, Inc. (US) 2017-07-12 EP disclosed
US-20160067260-A1 Compositions and Methods for Treating Proliferation Disorders ARQULE, INC. 2016-03-10 US disclosed
WO-2016037044-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATION DISORDERS ARQULE, INC. (US) 2016-03-10 WO disclosed
EP-2519522-B1 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE INC (US) 2014-09-24 EP disclosed
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
EP-2519522-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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-20160067260-A1 Compositions and Methods for Treating Proliferation Disorders MKI67, HRAS, VHL POLB 377/4885KDM1A 290/4885MAOA 2091/4885
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 POLB 2406/4885KDM1A 1483/4885MAOA 2602/4885

“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.