SCHEMBL1301289

SCHEMBL1301289

O=Cc1cc([N+](=O)[O-])cc(Cl)c1O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.61
ERN1 O75460 6/20 0.59
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL12492120 0.87 ERN1 (0.69) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL10645211 0.84 GPR35 (0.59) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL887770 0.82 GPR35 (0.77) GPR35ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL4756022 0.81 ERN1 (0.63) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL3644484 0.81 ALDH1A1 (0.67) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL29441809 0.80 ERN1 (0.67) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL831073 0.80 ERN1 (0.67) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL10645207 0.79 ALDH1A1 (0.52) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL6152768 0.79 ERN1 (0.64) GPR35ERN1ALDH1A1KMT2AMEN1
SCHEMBL1300813 0.79 ERN1 (0.59) GPR35ERN1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272137-A Time temperature indicator comprising indolenin based spiropyrans 2011-12-07 CN disclosed
EP-2385947-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS BASF SE (DE) 2011-11-16 EP 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
EP-0115201-B1 PHOTOSENSITIVE COMPOSITIONS CONTAINING PHOTOCHROMIC COMPOUNDS SONY CORPORATION (JP) 1988-03-02 EP disclosed
US-4565779-A Photochromic compounds and photosensitive compositions containing the compounds SONY CORPORATION (JP) 1986-01-21 US disclosed
EP-0115201-A2 Photosensitive compositions containing photochromic compounds SONY CORPORATION (JP) 1984-08-08 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-20110269242-A1 TIME TEMPERATURE INDICATOR COMPRISING INDOLENIN BASED SPIROPYRANS TTN, CCNI, TPH1 GPR35 2752/4885ERN1 2429/4885ALDH1A1 340/4885

“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.