SCHEMBL4216005

SCHEMBL4216005

O=C(Oc1cccc(CBr)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.52
NR4A2 P43354 1/20 0.46
PARP10 Q53GL7 1/20 0.46
NSD2 O96028 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
ALOX5 P09917 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 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
SCHEMBL9339370 0.90 SMN1; SMN2 (0.53) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL9339348 0.87 KMT2A (0.53) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL29995417 0.85 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL9511333 0.85 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL18324277 0.85 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL27773271 0.85 KMT2A (0.56) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL9339409 0.85 ESR1 (0.65) KMT2AMEN1CES2CES1
SCHEMBL28944513 0.84 KMT2A (0.54) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL27447227 0.84 LOXL2 (0.55) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL27628085 0.83 CYP4F2 (0.58) KMT2ATDP1MEN1MAPTALDH1A1

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
US-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives NEWRON PHARMACEUTICALS S.P.A. (IT) 2009-01-01 US disclosed
EP-1863784-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2007-12-12 EP disclosed
WO-2006102958-A1 SUBSTITUTED AMINOALKYL- AND AMIDOALKYL-BENZOPYRAN DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2006-10-05 WO disclosed
CN-1338934-A Mono-acyloxy aralkyl neuronuscular relaxants NEWLAXANT L L C (US) 2002-03-06 CN disclosed
US-5288871-A Modify balance between rates of bone resorption and formation AMERICAN HOME PRODUCTS CORPORATION (US) 1994-02-22 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 (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-20090005436-A1 Substituted Aminoalkyl- and Amidoalkyl-Benzopyran Derivatives MAOB, MAOA, AOC3 KMT2A 1823/4885TDP1 818/4885MEN1 2876/4885

“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.