SCHEMBL14966974

SCHEMBL14966974

CC(Oc1ccccc1)c1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
S1PR3 Q99500 5/20 0.39
S1PR4 O95977 3/20 0.39
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL14967105 0.84 CHRNB2 (0.41) POLBHTTTDP1LMNA
SCHEMBL31336073 0.84 ALDH1A1 (0.36) POLBKDM4EHTTMEN1KMT2A
SCHEMBL26126071 0.84 ALDH1A1 (0.36) POLBKDM4EHTTMEN1KMT2A
SCHEMBL17319351 0.81 POLB (0.50) POLBKDM4EMAOAMAOBADRA2A
SCHEMBL31541656 0.77 GBA1 (0.36) KDM4EADRA2AADRA2BADRA2CS1PR3
SCHEMBL14102858 0.77 GBA1 (0.36) KDM4EADRA2AADRA2BADRA2CS1PR3
SCHEMBL14967355 0.76 GCK (0.48) POLBMAPTPKMKMT2A
SCHEMBL15006213 0.75 GBA1 (0.35) KDM4EADRA2AADRA2BADRA2CS1PR3
SCHEMBL10697880 0.75 POLB (0.58) POLBKDM4EMAOAMAOBADRA2A
SCHEMBL18674122 0.74 GBA1 (0.34) KDM4EADRA2AADRA2BADRA2CS1PR3

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-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 POLB 579/4885KDM4E 76/4885MAOA 325/4885

“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.