SCHEMBL15980813

SCHEMBL15980813

CC(C)NCCc1ccc2ncc(Br)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
INSR P06213 1/20 0.33
ALK Q9UM73 1/20 0.33
KCNH2 Q12809 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
MET P08581 1/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
SLC22A1 O15245 1/20 0.32
CA12 O43570 1/20 0.32
EGFR P00533 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
CA3 P07451 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL14756200 0.84 TAAR1 (0.50) TAAR1LMNAADRA2AADRA2BADRA2C
SCHEMBL15981482 0.80 KCNH2 (0.33) INSRALKKCNH2HTTLMNA
SCHEMBL30745166 0.77 PDGFRB (0.34) NPC1METHTTCYP1A2CYP2D6
SCHEMBL29151033 0.77 PDGFRB (0.34) NPC1METHTTCYP1A2CYP2D6
SCHEMBL15980815 0.77 SIGMAR1 (0.38) KCNH2HTTLMNASLC22A1CA12
SCHEMBL29151025 0.76 KDM4E (0.39) NPC1METCA2KDM4EPDGFRB
SCHEMBL30745169 0.76 KDM4E (0.39) NPC1METCA2KDM4EPDGFRB
SCHEMBL14756190 0.76 TAAR1 (0.46) TAAR1LMNAADRB2ADRA2ADRD2
SCHEMBL18563403 0.76 CYP1A2 (0.41) NPC1RAB9AHTTLMNAKDM4E
SCHEMBL15980809 0.72 MTNR1A (0.43) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 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 (3 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-20140243322-A1 BIVALENT BROMODOMAIN LIGANDS, AND METHODS OF USING SAME BRDT, BRD2, BRD4 NPC1 4664/4885RAB9A 3736/4885INSR 3484/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 NPC1 4773/4885RAB9A 4123/4885INSR 2856/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 NPC1 4799/4885RAB9A 4100/4885INSR 2837/4885

“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.