SCHEMBL7471027

SCHEMBL7471027

CC(C)(C)[Si](C)(C)OCCC1Oc2cc([N+](=O)[O-])ccc2NC1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 5/20 0.60
ALDH1A1 P00352 5/20 0.60
GAA P10253 1/20 0.58
MAPT P10636 5/20 0.53
MAPK1 P28482 2/20 0.53
BRD4 O60885 6/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
PGR P06401 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL190342 0.93 KMT2A (0.51) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7468823 0.84 BRD4 (0.45) KMT2AMEN1ALDH1A1GAABRD4
SCHEMBL7468480 0.83 BRD4 (0.42) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL15324712 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7478469 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL17996439 0.81 KMT2A (0.61) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7472416 0.80 PARP1 (0.48) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL30806537 0.79 KMT2A (0.52) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL7476036 0.79 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL5518583 0.79 KMT2A (0.65) KMT2AMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 EP disclosed
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 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 (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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA KMT2A 234/4885MEN1 2706/4885ALDH1A1 312/4885

“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.