SCHEMBL6556910

SCHEMBL6556910

O=[N+]([O-])c1ccc(Cl)c(C(O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
RORC P51449 2/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48

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
SCHEMBL2391163 0.88 HSD17B10 (0.50) LMNAHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL3472278 0.87 HSD17B10 (0.49) LMNAHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL11740225 0.83 ALDH1A1 (0.51) ALDH1A1MAPTTP53TSHRMAPK1
SCHEMBL3379925 0.83 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTCYP3A4
SCHEMBL6556706 0.82 MAPT (0.55) LMNAHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL6557884 0.82 HSD17B10 (0.51) LMNAHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL14744361 0.82 ALDH1A1 (0.44) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL2009030 0.82 HSD17B10 (0.50) LMNAHSD17B10KMT2AMEN1ALDH1A1
Dimethylamine SCHEMBL22445184 0.81 MEN1 (0.51) LMNAHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL8744236 0.80 CRHBP (0.52) LMNAKMT2AMEN1ALDH1A1MAPT

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 8 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-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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
EP-1100483-B1 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LAB (US) 2004-09-29 EP disclosed
EP-1100483-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS Abbott Laboratories (US) 2001-05-23 EP disclosed
US-6166013-A Glucocortiocoid-selective agents ABBOTT LABORATORIES (US) 2000-12-26 US disclosed
WO-2000006137-A2 GLUCOCORTICOID-SELECTIVE ANTI-INFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 2000-02-10 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 LMNA 1863/4885HSD17B10 2843/4885KMT2A 1137/4885
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 LMNA 1863/4885HSD17B10 2843/4885KMT2A 1137/4885

“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.