SCHEMBL12814747

SCHEMBL12814747

COc1cnc2ccoc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
KCNC1 P48547 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
EGFR P00533 2/20 0.35
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
HPGDS O60760 2/20 0.35
PTPN1 P18031 1/20 0.35
HTT P42858 2/20 0.34

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
SCHEMBL31022641 0.83 KDM4E (0.34) KDM4EKCNC1PDGFRBPDGFRA
SCHEMBL14805709 0.81 KDM4E (0.32) KDM4E
SCHEMBL12896074 0.81 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHTTRAB9A
SCHEMBL31168473 0.75 CYP1A2 (0.44) KDM4ECCR1CCR5CCR8ALDH1A1
SCHEMBL827713 0.75 CYP1A2 (0.44) KDM4ECCR1CCR5CCR8ALDH1A1
SCHEMBL926856 0.72 KDM4E (0.48) KDM4ECCR1CCR5CCR8ALDH1A1
SCHEMBL21753246 0.71 MAPK1 (0.46) KDM4EALDH1A1HTTMAPT
SCHEMBL31168602 0.71 TRPA1 (0.34)
SCHEMBL457106 0.71 DYRK1A (0.38) ALDH1A1HTTMAPTKMT2ANPSR1
SCHEMBL1269987 0.71 FTO (0.40) KDM4EALDH1A1EGFRPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-10-12 US disclosed
US-20170037059-A1 GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-09 US disclosed
US-9481675-B2 Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
WO-2016033460-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO disclosed
US-9149465-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20130079323-A1 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2013-03-28 US disclosed
WO-2011032050-A2 GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2011-03-17 WO disclosed
US-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2011-02-03 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 (6 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-20110028478-A1 ISOXAZOLINES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, HRH2 KDM4E 1965/4885CCR1 1352/4885CCR5 1320/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 KDM4E 972/4885CCR1 4320/4885CCR5 3844/4885
US-20170037059-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KDM4E 1199/4885CCR1 1043/4885CCR5 603/4885
US-10907197-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 KDM4E 4674/4885CCR1 4212/4885CCR5 4725/4885
US-20130079323-A1 GYRASE INHIBITORS TOP1, CA7, TOP2B KDM4E 1199/4885CCR1 1043/4885CCR5 603/4885
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 KDM4E 4674/4885CCR1 4212/4885CCR5 4725/4885

“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.