SCHEMBL6469686

SCHEMBL6469686

C/C(=C\c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.67
MAPT P10636 3/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KMT2A Q03164 2/20 0.64
JAK2 O60674 1/20 0.64
MITF O75030 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
NTSR1 P30989 1/20 0.64
CYP2C19 P33261 1/20 0.64
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
ABL2 P42684 1/20 0.59
APP P05067 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6469695 1.00 FBP1 (0.67) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL6469694 1.00 FBP1 (0.67) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL6954094 0.84 FBP1 (0.61) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL27957137 0.82 FBP1 (0.69) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL27946453 0.82 FBP1 (0.69) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL2746679 0.82 FBP1 (0.69) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL9850705 0.82 FBP1 (0.59) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL10664676 0.82 FBP1 (0.69) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL2746675 0.82 FBP1 (0.69) FBP1MAPTMEN1ALDH1A1KMT2A
SCHEMBL2746676 0.82 FBP1 (0.69) FBP1MAPTMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020155925-A1 NITROALKYL QUINOXALINE OR DERIVATIVE THEREOF, AMINOALKYL QUINOXALINE OR DERIVATIVE THEREOF, AND SYNTHESIS METHOD THEREFOR 上海交通大学 2020-08-06 WO claimed
WO-2020155925-A1 NITROALKYL QUINOXALINE OR DERIVATIVE THEREOF, AMINOALKYL QUINOXALINE OR DERIVATIVE THEREOF, AND SYNTHESIS METHOD THEREFOR 上海交通大学 2020-08-06 WO disclosed
CN-103497082-B A kind of method preparing beta-nitrostyrene and derivative thereof TAIZHOU UNIVERSITY (CN) 2015-12-02 CN disclosed
CN-103497082-A Method for preparing beta-nitrostyrolene and derivatives thereof UNIV TAIZHOU 2014-01-08 CN disclosed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 FBP1 2082/4885MAPT 86/4885MEN1 681/4885
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR FBP1 3072/4885MAPT 4864/4885MEN1 2050/4885

“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.