SCHEMBL3085354

SCHEMBL3085354

Cc1cc([O])ncc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.41
TSHR P16473 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 1/20 0.40
GPR35 Q9HC97 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL29492839 0.82 NOS3 (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL474593 0.82 NOS3 (0.52) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL30197179 0.82 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL843761 0.82 ALDH1A1 (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL381803 0.78 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3093946 0.78 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29709755 0.78 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3093936 0.78 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3088756 0.78 ALDH1A1 (0.53) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29390182 0.78 ALDH1A1 (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19

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-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ALDH1A1 4231/4885MAPT 415/4885CYP1A2 3682/4885

“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.