SCHEMBL3535267

SCHEMBL3535267

O=C(c1ncc[nH]1)c1cccc2nc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 3/20 0.44
F2RL1 P55085 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
PTBP1 P26599 1/20 0.42
RCE1 Q9Y256 1/20 0.42
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CDC25B P30305 1/20 0.38
MGAM O43451 1/20 0.37
MAPT P10636 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
SCHEMBL7193170 0.84 KMT2A (0.63) KMT2AHTTSMN1; SMN2GLAF2RL1
SCHEMBL27356901 0.82 ALDH1A1 (0.55) KMT2AHTTGLANPC1RAB9A
SCHEMBL6795776 0.81 KMT2A (0.58) KMT2AHTTSMN1; SMN2GLAF2RL1
SCHEMBL27805818 0.79 KMT2A (0.77) KMT2AHTTSMN1; SMN2GLAF2RL1
SCHEMBL3536797 0.79 KMT2A (0.51) KMT2AHTTSMN1; SMN2GLAF2RL1
SCHEMBL11022121 0.78 CNR2 (0.51) KMT2AHTTGLANPC1RAB9A
SCHEMBL31496393 0.78 CNR2 (0.51) KMT2AHTTGLANPC1RAB9A
SCHEMBL2450877 0.76 KMT2A (0.69) KMT2AHTTSMN1; SMN2GLAF2RL1
SCHEMBL222908 0.76 NR4A1 (0.60) KMT2ASMN1; SMN2GLANPC1RAB9A
Water SCHEMBL7769203 0.75 NR4A1 (0.58) KMT2ASMN1; SMN2GLANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718576-B2 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein WALDROP III ALEXANDER A 2010-05-18 US disclosed
EP-1019379-B1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CT (US) 2005-10-19 EP disclosed
US-20030219844-A1 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein MAINE MEDICAL CENTER 2003-11-27 US disclosed
EP-1019379-A4 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CT (US) 2001-07-04 EP disclosed
EP-1019379-A1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN Maine Medical Center (US) 2000-07-19 EP disclosed
WO-1999009012-A1 PEROXIDE-BASED CHEMILUMINESCENT ASSAYS AND CHEMILUMINESCENT COMPOUNDS USED THEREIN MAINE MEDICAL CENTER (US) 1999-02-25 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-20030219844-A1 Peroxide-based chemiluminescent assays and chemiluminescent compounds used therein CBR1, CBR3, NR2E3 KMT2A 3611/4885HTT 4524/4885SMN1; SMN2 4285/4885

“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.