SCHEMBL15980804

SCHEMBL15980804

COc1ccc2ccc(CCNC(C)C)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
SLC6A2 P23975 1/20 0.50
RAB9A P51151 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PTGS2 P35354 1/20 0.50
RAD52 P43351 1/20 0.47
PAX8 Q06710 1/20 0.47
SLC2A1 P11166 2/20 0.46
PTGS1 P23219 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45

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
SCHEMBL15980805 0.97 SMN1; SMN2 (0.54) SMN1; SMN2HTTCYP1A2KDM4ENPC1
SCHEMBL14756184 0.83 CHRM2 (0.63) SMN1; SMN2CYP1A2KDM4ENPC1LMNA
SCHEMBL8090972 0.82 SIGMAR1 (0.57) CYP1A2CYP2A6SIGMAR1
SCHEMBL254573 0.82 SMN1; SMN2 (0.72) SMN1; SMN2HTTKDM4ELMNAMAPT
SCHEMBL10087661 0.80 CHRM2 (0.68) SLC2A1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL15981454 0.80 LMNA (0.49) SMN1; SMN2HTTCYP1A2KDM4ELMNA
SCHEMBL9492873 0.79 MTNR1A (0.62) SMN1; SMN2CYP1A2KDM4ENPC1LMNA
SCHEMBL15980808 0.79 HPGDS (0.44) SMN1; SMN2HTTSLC6A2SLC6A3SLC2A1
SCHEMBL9667596 0.79 CHRM2 (0.67) SMN1; SMN2CYP1A2KDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL11279316 0.78 LMNA (0.50) SMN1; SMN2HTTCYP1A2KDM4ELMNA

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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, 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

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 SMN1; SMN2 4253/4885HTT 2844/4885CYP1A2 4686/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 SMN1; SMN2 3490/4885HTT 2677/4885CYP1A2 4875/4885
US-20140243321-A1 BIOORTHOGONAL MONOMERS CAPABLE OF DIMERIZING AND TARGETING BROMODOMAINS, AND METHODS OF USING SAME BRDT, BRD4, BRD1 SMN1; SMN2 4140/4885HTT 2932/4885CYP1A2 4822/4885

“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.