SCHEMBL9893345

SCHEMBL9893345

CC(C)CNc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
BACE1 P56817 1/20 0.47
AR P10275 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
APP P05067 1/20 0.45
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.43
CYP19A1 P11511 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
SCHEMBL9893373 0.86 BACE1 (0.50) MAPTBACE1ARMEN1KMT2A
SCHEMBL2336280 0.85 BACE1 (0.49) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15068265 0.84 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9893444 0.84 MEN1 (0.57) MAPTBACE1ARMEN1KMT2A
SCHEMBL8693314 0.82 MAPT (0.45) MAPTALDH1A1HTTBACE1AR
SCHEMBL18638449 0.81 BACE1 (0.48) MAPTCYP1A2CYP2C9CYP2C19BACE1
SCHEMBL8693313 0.81 BACE1 (0.45) MAPTALDH1A1BACE1ARMEN1
SCHEMBL5579639 0.80 CTSV (0.55) MAPTALDH1A1BACE1ARMEN1
SCHEMBL4912305 0.80 BACE1 (0.49) MAPTALDH1A1BACE1ARMEN1
SCHEMBL1486737 0.79 NMT1 (0.44) MAPTALDH1A1BACE1ARMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940889-B2 Process for producing benzo [b] [1,4] diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-27 US disclosed
US-8796447-B2 Process for producing benzo[B][1,4]diazepine-2,4-dione compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-10 US disclosed
EP-2468733-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 EP disclosed
US-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-14 US 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-20120149899-A1 PROCESS FOR PRODUCING BENZO[B][1,4]DIAZEPINE-2,4-DIONE COMPOUND KCNH1, KCNB2, KCNJ2 MAPT 4600/4885ALDH1A1 334/4885CYP1A2 28/4885
US-20140194621-A1 PROCESS FOR PRODUCING BENZO [B] [1,4] DIAZEPINE-2, 4-DIONE COMPOUND KCNH1, KCNB2, KCNB1 MAPT 4472/4885ALDH1A1 432/4885CYP1A2 25/4885

“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.