SCHEMBL3511243

SCHEMBL3511243

Cc1nccn1Cc1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 6/20 0.41
TAAR1 Q96RJ0 3/20 0.41
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40
TSHR P16473 1/20 0.38
FDPS P14324 1/20 0.38

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
SCHEMBL7275863 0.79 ALOX15 (0.47) ALOX15ALDH1A1KCNH2TAAR1HTR1A
SCHEMBL14035741 0.76 ALOX15 (0.44) ALOX15ALDH1A1KCNH2TAAR1HTR1A
SCHEMBL15925068 0.76 ALOX15 (0.44) ALOX15KCNH2TAAR1HTR1AFDPS
SCHEMBL14008876 0.76 ALOX15 (0.41) ALOX15TAAR1HTR1A
SCHEMBL15639078 0.73 LMNA (0.50) ALDH1A1KMT2ALMNAL3MBTL1TAAR1
SCHEMBL10448525 0.71 DBH (0.50) ALOX15ALDH1A1POLBTSHR
SCHEMBL31270697 0.71 LMNA (0.74) ALDH1A1POLBKMT2ALMNAL3MBTL1
SCHEMBL15013385 0.70 ALOX15 (0.39) ALOX15KCNH2TAAR1HTR1A
SCHEMBL14321911 0.70
SCHEMBL4779659 0.69 ALDH1A1 (0.72) ALDH1A1POLBKMT2ALMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293919-B2 Antibacterial sulfone and sulfoxide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-10-23 US disclosed
US-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2010-11-11 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-20100286169-A1 Antibacterial Sulfone and Sulfoxide Substituted Heterocyclic Urea Compounds TST, UMPS, UROD ALOX15 4081/4885ALDH1A1 2644/4885POLB 1370/4885

“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.