SCHEMBL1300804

SCHEMBL1300804

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(c2ccccc2)c2ccccc2C12CCCCC2

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
GFER P55789 1/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
PNKP Q96T60 1/20 0.31
SLC6A5 Q9Y345 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL11787706 0.89 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL8680930 0.88 MAPT (0.38) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL13284919 0.85 SMN1; SMN2 (0.35) SMN1; SMN2MAPK1MAPTLMNAMEN1
SCHEMBL12109887 0.83 NPSR1 (0.31) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL12109892 0.83 MEN1 (0.46) SMN1; SMN2MAPK1MAPTLMNAMEN1
SCHEMBL12111146 0.83 GAA (0.34) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL29473569 0.78 MAPT (0.50) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL13326515 0.78 MAPT (0.50) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL30612732 0.78 MAPT (0.50) SMN1; SMN2MAPK1MAPTALDH1A1LMNA
SCHEMBL976219 0.78 MAPT (0.50) SMN1; SMN2MAPK1MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110297898-A1 PREPARATION OF A PHOTOCHROMIC INK BASF SE (DE) 2011-12-08 US disclosed
US-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-03 US disclosed
US-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-03 US disclosed
WO-2010079114-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2010-07-15 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 (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-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS TTN, CCNI, TPH1 SMN1; SMN2 3869/4885MAPK1 2197/4885MAPT 90/4885
US-20110297898-A1 PREPARATION OF A PHOTOCHROMIC INK RB1, REN, MYH14 SMN1; SMN2 1844/4885MAPK1 1806/4885MAPT 1266/4885

“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.