SCHEMBL990451

SCHEMBL990451

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
HTT P42858 2/20 0.60
TDP1 Q9NUW8 3/20 0.49
ATM Q13315 1/20 0.49
MAPK1 P28482 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTR6 P50406 1/20 0.44
KAT2B Q92831 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
APP P05067 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
SCHEMBL15082923 0.83 MAPT (0.61) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31481963 0.83 MAPT (0.57) MAPTALDH1A1HTTTDP1ATM
SCHEMBL3512219 0.83 MAPT (0.57) MAPTALDH1A1HTTTDP1ATM
SCHEMBL989963 0.82 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL28694709 0.82 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL991433 0.82 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7805715 0.82 MAPT (0.60) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10485638 0.81 ATM (0.45) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27864294 0.81 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3515437 0.80 HCAR3 (0.52) MAPTALDH1A1TDP1ATMMAPK1

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-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
US-8574467-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 US disclosed
US-8574468-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 US disclosed
US-8574467-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 US disclosed
US-8574468-B1 Benzo-fused heterocyclic chromophores for nonlinear optical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2013-11-05 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
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 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 (3 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
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 MAPT 2603/4885ALDH1A1 3631/4885CYP1A2 3740/4885

“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.