SCHEMBL2534616

SCHEMBL2534616

O=C(O)C(C(=O)O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 5/20 0.53
PDE7A Q13946 1/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
RORC P51449 1/20 0.44

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
SCHEMBL2534611 1.00 HSD17B10 (0.55) HSD17B10KMT2APDE7AMAPTMEN1
SCHEMBL10919031 0.85 HSD17B10 (0.53) HSD17B10KMT2APDE7AMAPTMEN1
SCHEMBL2595990 0.85 MAPT (0.49) HSD17B10KMT2AMAPTMAPK1LMNA
SCHEMBL1906515 0.81 ALDH1A1 (0.52) HSD17B10KMT2AMAPTMEN1MAPK1
SCHEMBL2728938 0.80 TDP1 (0.46) KMT2AMAPTMEN1MAPK1TP53
SCHEMBL2997140 0.80 ALDH1A1 (0.54) KMT2AMAPTMEN1TP53CYP3A4
SCHEMBL2887378 0.80 ALDH1A1 (0.47) KMT2AMAPTMEN1LMNATP53
SCHEMBL2887382 0.80 ALDH1A1 (0.47) KMT2AMAPTMEN1LMNATP53
SCHEMBL2728943 0.80 TDP1 (0.46) KMT2AMAPTMEN1MAPK1TP53
SCHEMBL2997136 0.80 ALDH1A1 (0.54) KMT2AMAPTMEN1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2112150-B1 Improved raf inhibitors FORMA THERAPEUTICS INC (US) 2013-10-16 EP disclosed
US-8232283-B2 Raf inhibitors FORMA THERAPEUTICS, INC. (US) 2012-07-31 US disclosed
US-20110257207-A1 RAF INHIBITORS AGENNIX USA INC (US) 2011-10-20 US disclosed
WO-2009130015-A1 IMPROVED RAF INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 WO disclosed
EP-2112150-A1 Improved raf inhibitors GPC Biotech AG (DE) 2009-10-28 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-20110257207-A1 RAF INHIBITORS BRAF, RAF1, ARAF HSD17B10 4250/4885KMT2A 1897/4885PDE7A 1194/4885

“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.