SCHEMBL17044495

SCHEMBL17044495

COc1ccc(C=NNC(=N)N)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MMP9 P14780 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
TRPM5 Q9NZQ8 2/20 0.46

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
SCHEMBL17044494 1.00 KDM4E (0.51) KDM4EALDH1A1KMT2AMMP9MEN1
Hydrochloric Acid SCHEMBL5703016 0.99 KDM4E (0.50) KDM4EALDH1A1KMT2AMMP9MEN1
Hydrochloric Acid SCHEMBL5703020 0.99 KDM4E (0.50) KDM4EALDH1A1KMT2AMMP9MEN1
SCHEMBL24211909 0.88 ALDH1A1 (0.63) KDM4EALDH1A1KMT2AMMP9MEN1
SCHEMBL13673610 0.85 KDM4E (0.50) KDM4EALDH1A1KMT2AMMP9MEN1
SCHEMBL13673608 0.85 MAPT (0.47) KDM4EALDH1A1KMT2AMMP9MEN1
SCHEMBL13673609 0.85 MAPT (0.47) KDM4EALDH1A1KMT2AMMP9MEN1
SCHEMBL7747080 0.84 SMN1; SMN2 (0.64) KDM4EALDH1A1KMT2AMMP9MEN1
SCHEMBL7747076 0.84 SMN1; SMN2 (0.64) KDM4EALDH1A1KMT2AMMP9MEN1
SCHEMBL17044404 0.83 KDM4E (0.51) KDM4EALDH1A1KMT2AMMP9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 KDM4E 1568/4885ALDH1A1 4570/4885KMT2A 632/4885

“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.