SCHEMBL2177801

SCHEMBL2177801

CC(C)(C)c1ncccc1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.36
KDM4E B2RXH2 6/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HSP90AA1 P07900 4/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 3/20 0.33
ALOX15 P16050 3/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HIF1A Q16665 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPK1 P28482 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
USP2 O75604 2/20 0.33
SLC6A2 P23975 2/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL1333629 0.83 HDAC8 (0.33) HDAC8KDM4EKMT2AALDH1A1HSP90AA1
SCHEMBL1628608 0.78 JAK2 (0.36) HDAC8
SCHEMBL3150279 0.77 HDAC8 (0.36) HDAC8KDM4EKMT2AALDH1A1HSP90AA1
SCHEMBL22140134 0.77 TLR8 (0.32) KDM4EALDH1A1HPGDHSD17B10GRM4
SCHEMBL231343 0.74 CA2 (0.41) KDM4EKMT2AALDH1A1HSP90AA1LMNA
SCHEMBL77479 0.74 NOS3 (0.48) KDM4EKMT2AALDH1A1HSP90AA1LMNA
SCHEMBL10259934 0.74 GRM4 (0.38) HDAC8GRM4
SCHEMBL2627824 0.73 KDM4E (0.50) HDAC8KDM4EKMT2AALDH1A1HTT
SCHEMBL21718444 0.73 CA2 (0.39) HDAC8KDM4EKMT2AALDH1A1HSP90AA1
SCHEMBL12203098 0.73 AXL (0.35) HDAC8KDM4EKMT2AALDH1A1HSP90AA1

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-9073907-B2 Thiazoles derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2015-07-07 US disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 US disclosed
US-7973172-B2 Organic compound, semiconductor film electrode employing the organic compound, photoelectric conversion element employing the organic compound, and photoelectrochemical solar cell employing the organic compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-07-05 US disclosed
US-20100174095-A1 ORGANIC COMPOUND, SEMICONDUCTOR FILM ELECTRODE EMPLOYING THE ORGANIC COMPOUND, PHOTOELECTRIC CONVERSION ELEMENT EMPLOYING THE ORGANIC COMPOUND, AND PHOTOELECTROCHEMICAL SOLAR CELL EMPLOYING THE ORGANIC COMPOUND NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-07-08 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 (4 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-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 HDAC8 1609/4885KDM4E 2046/4885KMT2A 2333/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HDAC8 2115/4885KDM4E 595/4885KMT2A 1335/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HDAC8 2115/4885KDM4E 595/4885KMT2A 1335/4885
US-20100174095-A1 ORGANIC COMPOUND, SEMICONDUCTOR FILM ELECTRODE EMPLOYING THE ORGANIC COMPOUND, PHOTOELECTRIC CONVERSION ELEMENT EMPLOYING THE ORGANIC COMPOUND, AND PHOTOELECTROCHEMICAL SOLAR CELL EMPLOYING THE ORGANIC COMPOUND HCN3, HCN4, HCN2 HDAC8 3594/4885KDM4E 483/4885KMT2A 1555/4885

“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.