SCHEMBL752480

SCHEMBL752480

CC(=O)NNC(=O)c1cccc(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
MTOR P42345 3/20 0.52
GRM5 P41594 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KAT6A Q92794 1/20 0.50
TP53BP1 Q12888 1/20 0.49
TP53 P04637 1/20 0.49
F2 P00734 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2288727 0.81 HDAC1 (0.62) HDAC1HDAC2MTORGRM5SMN1; SMN2
SCHEMBL13949640 0.80 HDAC1 (0.54) HDAC1HDAC2MTORGRM5SMN1; SMN2
SCHEMBL2717887 0.80 RAB9A (0.74) SMN1; SMN2KAT6ATP53NPC1RAB9A
SCHEMBL20014329 0.80 SMN1; SMN2 (0.77) SMN1; SMN2KAT6ATP53NPC1RAB9A
SCHEMBL2290042 0.79 HDAC8 (0.63) HDAC1HDAC2MTORGRM5KAT6A
SCHEMBL17074004 0.79 SMN1; SMN2 (0.63) HDAC1HDAC2GRM5SMN1; SMN2NPC1
SCHEMBL31456323 0.79 MEN1 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL7377540 0.79 SMN1; SMN2 (0.67) MTORSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7867966 0.79 ALDH1A1 (0.54) SMN1; SMN2KAT6ATP53NPC1RAB9A
SCHEMBL17082207 0.78 HDAC1 (0.51) HDAC1HDAC2GRM5SMN1; SMN2KAT6A

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
US-8569285-B2 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-10-29 US disclosed
EP-2431360-B1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors SERVIER LAB (FR) 2013-04-17 EP disclosed
EP-2163554-B1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-01 EP disclosed
WO-2012088316-A1 2-ALKYL-5-PHENYL OXADIAZOLE-CARBAZOLE HOSTS FOR GUEST EMITTERS GEORGIA TECH RESEARCH CORPORATION (US) 2012-06-28 WO disclosed
US-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-22 US disclosed
EP-2431360-A1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors Les Laboratoires Servier (FR) 2012-03-21 EP disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 EP disclosed
US-6037367-A Substituted-pent-4-ynoic acids SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 US disclosed
EP-0827495-A4 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORP (US) 1998-11-04 EP disclosed
EP-0827495-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-11 EP disclosed
WO-1997003945-A1 SUBSTITUTED-PENT-4-YNOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-06 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-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them GABRA1, GRM1, GABRA5 HDAC1 1070/4885HDAC2 1064/4885MTOR 3236/4885
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D HDAC1 120/4885HDAC2 73/4885MTOR 2293/4885

“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.