SCHEMBL3536797

SCHEMBL3536797

O=C(c1ncc[nH]1)c1c2ccccc2nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
F2RL1 P55085 1/20 0.44
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE10A Q9Y233 4/20 0.41
GLA P06280 2/20 0.40
CCND3 P30281 1/20 0.39
CDK6 Q00534 1/20 0.39
DHODH Q02127 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
KDM5A P29375 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL3535267 0.79 KMT2A (0.56) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL27550242 0.77 PDE10A (0.55) KMT2ARAB9AHTTSMN1; SMN2PDE10A
SCHEMBL653441 0.76 RAB9A (0.69) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL27576939 0.75 CCND3 (0.64) KMT2ANPC1RAB9APDE10ACCND3
SCHEMBL7193170 0.75 KMT2A (0.63) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL11173816 0.75 KDM4E (0.60) KMT2ANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6795776 0.75 KMT2A (0.58) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL27805818 0.74 KMT2A (0.77) KMT2ANPC1RAB9AF2RL1HTT
Phenanthrene SCHEMBL18789472 0.74 KMT2A (0.46) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL8776502 0.74 HTT (0.61) KMT2AHTTSMN1; SMN2PDE10AGLA

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 3611/4885NPC1 2485/4885RAB9A 4784/4885

“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.