SCHEMBL14907923

SCHEMBL14907923

NCCNC(=O)C#Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
PYGL P06737 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
CHRM1 P11229 1/20 0.41
MCHR1 Q99705 1/20 0.41
UTS2R Q9UKP6 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
ACACB O00763 1/20 0.38
GSK3B P49841 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL14907963 0.92 PYGL (0.56) MAOBCYP1A2TSHRNFKB1PYGL
SCHEMBL14907945 0.84 PYGL (0.47) MAOBCYP1A2TSHRNFKB1PYGL
SCHEMBL14907932 0.84 PYGL (0.47) MAOBCYP1A2TSHRNFKB1PYGL
SCHEMBL16139305 0.84 PYGL (0.54) TSHRNFKB1PYGLMEN1KMT2A
SCHEMBL14907922 0.79 ALDH1A1 (0.47) TSHRPYGLMEN1KMT2AGSK3B
SCHEMBL4169211 0.77 CNR1 (0.58) CYP1A2PYGLCYP2C19LMNAMAPT
SCHEMBL14907916 0.76 PYGL (0.49) PYGL
SCHEMBL14907976 0.76 PYGL (0.49) PYGLUTS2RACACBL3MBTL1
SCHEMBL4176072 0.76 LMNA (0.55) CYP1A2MEN1KMT2ACYP2C19LMNA
SCHEMBL14907938 0.76 DRD2 (0.48) TSHRPYGLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-9174984-B2 Chemical compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-11-03 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
US-20140296204-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-02 US disclosed
WO-2013062945-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-05-02 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-20140296204-A1 CHEMICAL COMPOUNDS DNMT1, DNMT3A, DNMT3B MAOB 328/4885CYP1A2 330/4885TSHR 4618/4885

“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.