SCHEMBL3037513

SCHEMBL3037513

O=[N+]([O-])c1cc(OC2CCCCO2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
ESR1 P03372 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
RAF1 P04049 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
VCAM1 P19320 5/20 0.39
WNK1 Q9H4A3 2/20 0.39
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL29793554 0.85 WNK1 (0.39) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL10924129 0.85 MAPK1 (0.41) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL3036505 0.85 KMT2A (0.47) KMT2AMAPTALDH1A1MAPK1
SCHEMBL16782293 0.82 MAPT (0.41) KMT2AMAPTMEN1ALDH1A1WNK1
SCHEMBL5346439 0.82 ATM (0.42) KMT2AMAPTMEN1ALDH1A1WNK1
SCHEMBL29793698 0.82 WNK1 (0.41) KMT2AMAPTMEN1ALDH1A1WNK1
SCHEMBL20240595 0.82 NPC1 (0.44) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL20520337 0.80 HPGD (0.39) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL29502909 0.80 NPBWR1 (0.46) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL18702763 0.80 NPBWR1 (0.46) KMT2AMAPTMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
EP-1910369-A1 FUSED HETEROCYCLES AS LCK INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007013673-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-02-01 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 (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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN KMT2A 547/4885MAPT 4747/4885MEN1 4150/4885

“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.