SCHEMBL8700799

SCHEMBL8700799

Cc1nc(-c2cccc(F)c2)cs1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
MAPT P10636 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
RECQL P46063 2/20 0.66
TSHR P16473 1/20 0.66
PRMT6 Q96LA8 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 4/20 0.55
HTT P42858 2/20 0.55
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
ESR2 Q92731 1/20 0.54
SCN9A Q15858 1/20 0.53
GRM5 P41594 1/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL19196704 0.97 KDM4E (0.64) KDM4EMAPTMEN1KMT2ARECQL
SCHEMBL8242296 0.90 KDM4E (0.56) KDM4EMAPTMEN1KMT2ARECQL
SCHEMBL19196195 0.85 RECQL (0.60) KDM4EMAPTMEN1KMT2ARECQL
SCHEMBL8257849 0.82 RECQL (0.70) KDM4EMAPTRECQLTSHRPRMT6
SCHEMBL19625325 0.82 KDM4E (0.62) KDM4EMAPTMEN1KMT2ARECQL
SCHEMBL7229526 0.82 GAA (0.51) KDM4EMAPTMEN1KMT2ARECQL
SCHEMBL10076588 0.81 RECQL (0.68) KDM4EMAPTRECQLTSHRPRMT6
SCHEMBL6699384 0.81 MEN1 (1.00) KDM4EMAPTMEN1KMT2ARECQL
SCHEMBL3764574 0.81 KDM4E (0.70) KDM4EMAPTMEN1KMT2ARAB9A
SCHEMBL19195983 0.80 SCN9A (0.64) KDM4EMAPTRECQLTSHRPRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP disclosed
WO-1998017631-A2 SUBSTITUTED OXIME-ETHERS AND THEIR USE AS PESTICIDES NOVARTIS AG (CH) 1998-04-30 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 (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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA KDM4E 2482/4885MAPT 1222/4885MEN1 3339/4885
US-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 KDM4E 1547/4885MAPT 3805/4885MEN1 3363/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 KDM4E 3779/4885MAPT 4783/4885MEN1 4625/4885

“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.