SCHEMBL766140

SCHEMBL766140

O=C(O)CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SHMT2 P34897 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
NOTUM Q6P988 2/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6642323 0.81 GAA (0.72) GAAL3MBTL1ALDH1A1SHMT2KMT2A
SCHEMBL178802 0.78 KMT2A (0.51) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL4661641 0.77 MAPT (0.65) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL3529002 0.73 KMT2A (0.47) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL13597563 0.72 GAA (0.56) GAAL3MBTL1ALDH1A1SHMT2KMT2A
SCHEMBL7254685 0.72 CD274 (0.55) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL30314492 0.71 GAA (0.68) GAAL3MBTL1ALDH1A1SHMT2KMT2A
SCHEMBL9383446 0.70 KMT2A (0.69) KMT2AMEN1MAPTPDCD1CD274
SCHEMBL5463910 0.68 KMT2A (0.66) GAAL3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL5430471 0.68 CA1 (0.51) GAAL3MBTL1ALDH1A1SHMT2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258786-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-14 US claimed
US-20160030422-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US claimed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US claimed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 EP claimed
US-20170258786-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-09-14 US disclosed
EP-2419413-B1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-20160030422-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-02-04 US disclosed
US-8853215-B2 Derivatives of N-acyl-N′-phenylpiperazine useful (inter alia) for the prophylaxis or treatment of diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-10-07 US disclosed
WO-2014160409-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-10-02 WO disclosed
EP-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 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 (4 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-20120071489-A1 DERIVATIVES OF N-ACYL-N'-PHENYLPIPERAZINE USEFUL (INTER ALIA) FOR THE PROPHYLAXIS OR TREATMENT OF DIABETES RBP4, RBP1, FABP4 GAA 3615/4885L3MBTL1 642/4885ALDH1A1 784/4885
US-20160030422-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, NR2E3 GAA 2402/4885L3MBTL1 255/4885ALDH1A1 1908/4885
US-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L GAA 2324/4885L3MBTL1 1783/4885ALDH1A1 270/4885
US-20170258786-A1 RBP4 ANTAGONISTS FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, NR2E3 GAA 2402/4885L3MBTL1 255/4885ALDH1A1 1908/4885

“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.