SCHEMBL4223676

SCHEMBL4223676

O=[N+]([O-])c1ccc(C[C]Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.59
CYP2C19 P33261 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.55
IDO1 P14902 3/20 0.53
POLB P06746 1/20 0.52
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
ACHE P22303 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PYCR1 P32322 1/20 0.47
AKR1C3 P42330 1/20 0.47
CHRM2 P08172 1/20 0.47
PTPRF P10586 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL523810 0.84 LOXL2 (0.57) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL4230681 0.83 LOXL2 (0.55) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL398128 0.83 GAA (0.59) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL3633599 0.83 LOXL2 (0.55) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL4521415 0.83 PYCR1 (0.57) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL12415808 0.83 PYCR1 (0.57) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL11689839 0.79 LOXL2 (0.52) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL16246201 0.79 LOXL2 (0.57) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL439 0.79 LOXL2 (0.61) LOXL2CYP2C19ALDH1A1TSHRIDO1
SCHEMBL44366 0.78 POLB (0.76) LOXL2CYP2C19ALDH1A1TSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same MITSUI CHEMICALS, INC. (JP) 2009-04-16 US disclosed
EP-1900779-A1 TRIMETHINE DIMER COMPOUND AND OPTICAL RECORDING MEDIUM USING SAME Mitsui Chemicals, Inc. (JP) 2008-03-19 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 (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-20090098410-A1 Trimethine Dimer Compound and Optical Recording Medium Using the Same TXNL1, TMCO1, TFPI2 LOXL2 583/4885CYP2C19 1834/4885ALDH1A1 3651/4885

“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.