SCHEMBL17891731

SCHEMBL17891731

C=C(OC)c1cc(I)ccn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.35
PYGM P11217 1/20 0.35
GRM4 Q14833 1/20 0.33
GAK O14976 2/20 0.32
RIPK2 O43353 1/20 0.32
COQ8A Q8NI60 1/20 0.32
NLK Q9UBE8 1/20 0.32
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
KDM3A Q9Y4C1 1/20 0.30

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
SCHEMBL5700355 0.79 ALDH1A1 (0.32) PYGLPYGMALDH1A1KDM4EKDM6B
SCHEMBL21413335 0.78 KDM4C (0.46) PYGLPYGMGRM4ALDH1A1KDM4C
SCHEMBL2490793 0.78 ALDH1A1 (0.50) PYGLPYGMARALDH1A1KDM4E
SCHEMBL5700151 0.75 ALDH1A1 (0.50) PYGLPYGMALDH1A1KDM4EKDM6B
SCHEMBL18861945 0.74 SYK (0.32) KDM4C
SCHEMBL22637041 0.74 GRM4 (0.38) PYGLPYGMGRM4GAKRIPK2
SCHEMBL4378933 0.72 ALDH1A1 (0.57) GRM4ALDH1A1KDM4E
SCHEMBL10199928 0.70 KDR (0.46) PYGLPYGMALDH1A1KDM4EKDM4C
SCHEMBL1921388 0.69 KDM4E (0.44) PYGLPYGMALDH1A1KDM4E
SCHEMBL232233 0.68 KDM4E (0.61) PYGLPYGMALDH1A1KDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436445-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2023-09-06 EP disclosed
EP-3436445-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2019-02-06 EP disclosed
US-10174003-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 US disclosed
WO-2017161033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-21 WO disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 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-10174003-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B PYGL 663/4885PYGM 1020/4885GRM4 2462/4885
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B PYGL 663/4885PYGM 1020/4885GRM4 2462/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B PYGL 663/4885PYGM 1020/4885GRM4 2462/4885

“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.