SCHEMBL2391312

SCHEMBL2391312

COc1cc(CC(=O)Cl)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
ALDH1A1 P00352 2/20 0.73
GAA P10253 2/20 0.73
NFKB1 P19838 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
ALOX5 P09917 2/20 0.58
OR51E2 Q9H255 1/20 0.58
TAAR1 Q96RJ0 2/20 0.57
MAPK1 P28482 1/20 0.57
FOS P01100 1/20 0.56
TTR P02766 1/20 0.56
JUN P05412 1/20 0.56
NR3C1 P04150 1/20 0.56
HSD17B1 P14061 1/20 0.56
HSD17B2 P37059 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
PTPN1 P18031 1/20 0.54
CYP3A4 P08684 1/20 0.54
AR P10275 1/20 0.54

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
SCHEMBL17193596 0.86 TSHR (0.73) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL76377 0.86 LMNA (0.59) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL7114863 0.86 TSHR (0.77) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL1682653 0.84 TSHR (0.75) TSHRALDH1A1GAANFKB1TDP1
Homovanillic Acid SCHEMBL10535396 0.84 GAA (1.00) TSHRALDH1A1GAANFKB1TDP1
Homovanillic Acid SCHEMBL8792 0.84 GAA (1.00) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL30310280 0.84 TSHR (0.75) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL30310281 0.84 TSHR (0.75) TSHRALDH1A1GAANFKB1TDP1
Homovanillic Acid SCHEMBL30337229 0.84 GAA (1.00) TSHRALDH1A1GAANFKB1TDP1
SCHEMBL1031036 0.83 ALDH1A1 (0.73) TSHRALDH1A1GAANFKB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
US-8440693-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2013-05-14 US disclosed
EP-2516009-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES Novartis AG (CH) 2012-10-31 EP disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 TSHR 3334/4885ALDH1A1 3726/4885GAA 3352/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 TSHR 3334/4885ALDH1A1 3726/4885GAA 3352/4885

“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.