SCHEMBL2392210

SCHEMBL2392210

COc1ccc(COc2ccc(CC(=O)O)cc2OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
HTT P42858 3/20 0.59
NPC1 O15118 3/20 0.59
CA5A P35218 1/20 0.58
GAA P10253 4/20 0.57
ALDH1A1 P00352 3/20 0.57
PTGS1 P23219 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MRGPRX4 Q96LA9 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FFAR1 O14842 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 2/20 0.52

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
SCHEMBL5092344 0.96 PTGS1 (0.59) LMNAHTTNPC1CA5AGAA
SCHEMBL1114985 0.90 NPC1 (0.63) NPC1CA5AGAAALDH1A1TSHR
SCHEMBL31011346 0.90 NPC1 (0.63) NPC1CA5AGAAALDH1A1TSHR
SCHEMBL29874847 0.87 HTT (0.58) LMNAHTTNPC1GAAALDH1A1
SCHEMBL2394307 0.87 NPC1 (0.58) LMNAHTTNPC1GAAALDH1A1
SCHEMBL19926092 0.87 HTT (0.58) LMNAHTTNPC1GAAALDH1A1
SCHEMBL11462250 0.86 PPARD (0.57) NPC1GAAALDH1A1PTGS1AKR1C3
SCHEMBL27637442 0.84 MTNR1A (0.54) NPC1GAASMN1; SMN2RAB9ANPSR1
SCHEMBL2391945 0.84 SMPD1 (0.61) NPC1CA5AGAAALDH1A1TSHR
SCHEMBL2390980 0.84 LMNA (0.54) LMNAHTTNPC1GAAALDH1A1

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 13 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
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
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 LMNA 1863/4885HTT 268/4885NPC1 1905/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 LMNA 1863/4885HTT 268/4885NPC1 1905/4885

“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.