SCHEMBL5255263

SCHEMBL5255263

CN(C)C(=O)c1ccccc1C[O]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.49
KEAP1 Q14145 1/20 0.46
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TP53 P04637 2/20 0.41
CXCR2 P25025 2/20 0.40
PSMB5 P28074 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MASP2 O00187 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL10014679 0.86 MEN1 (0.53) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL5255270 0.84 MEN1 (0.56) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL6361780 0.82 MEN1 (0.50) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL2539827 0.82 KMT2A (0.50) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL29434808 0.82 MEN1 (0.50) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL3844942 0.82 MEN1 (0.50) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL18301798 0.81 BCAT2 (0.57) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL29434776 0.81 POLB (0.50) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL20610224 0.81 POLB (0.50) KMT2AMEN1SMN1; SMN2POLBKEAP1
SCHEMBL9381438 0.81 HCRTR1 (0.51) KMT2AMEN1SMN1; SMN2POLBKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B KMT2A 4490/4885MEN1 1227/4885SMN1; SMN2 3612/4885

“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.