SCHEMBL10176225

SCHEMBL10176225

CC(C)c1ccc(-n2ncc3cccnc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
DHODH Q02127 1/20 0.39
LMNA P02545 1/20 0.39
NPBWR1 P48145 10/20 0.38
MCHR1 Q99705 9/20 0.38
NOTUM Q6P988 1/20 0.37
MGLL Q99685 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL29624191 0.83 KDM4E (0.73) KDM4ESMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL7701732 0.83 KDM4E (0.73) KDM4ESMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL27254297 0.82 KDM4E (0.59) KDM4ESMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL22560252 0.82 KDM4E (0.54) KDM4ESMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4201391 0.80 KDM4E (1.00) KDM4ESMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL10360896 0.79 NPC1 (0.42) KDM4ESMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL30117642 0.74 KDM4E (0.75) KDM4EKMT2AALDH1A1MEN1NPC1
SCHEMBL9980902 0.74 KDM4E (0.63) KDM4ESMN1; SMN2KMT2AMEN1NPC1
SCHEMBL5324211 0.72 SMN1; SMN2 (0.71) KDM4ESMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL10590745 0.71 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 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-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX KDM4E 2909/4885SMN1; SMN2 1830/4885KMT2A 2710/4885

“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.