SCHEMBL18548622

SCHEMBL18548622

CCOC(=O)c1ccn2c(n1)nc1cc(OC)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 4/20 0.45
MAPT P10636 4/20 0.45
NLRP3 Q96P20 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 3/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.43
ELANE P08246 2/20 0.43
CYP1A2 P05177 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL29660209 1.00 KDM4E (0.46) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL18548688 0.91 KDM4E (0.49) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL29660237 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL27365441 0.85 DPP4 (0.48) KDM4EALDH1A1HPGDCYP1A2GABRA2
SCHEMBL18548712 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL18548667 0.84 RAD51 (0.44) KDM4EALDH1A1HPGDTDP1HSP90AA1
SCHEMBL29660200 0.82 CYP1A2 (0.51) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL18548710 0.82 CYP1A2 (0.51) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL18548610 0.78 ALDH1A1 (0.52) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL23253339 0.77 TDP1 (0.49) KDM4EALDH1A1NPC1TDP1RAB9A

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
US-11344637-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2022-05-31 US disclosed
US-11344637-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2022-05-31 US disclosed
EP-3340796-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-04-21 EP disclosed
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-03-04 US disclosed
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-03-04 US disclosed
US-10765764-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2020-09-08 US disclosed
US-10765764-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2020-09-08 US disclosed
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2019-06-06 US disclosed
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2019-06-06 US disclosed
US-10137211-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2018-11-27 US disclosed
EP-3340796-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2018-07-04 EP disclosed
WO-2017040336-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2017-03-09 WO disclosed
WO-2017040336-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2017-03-09 WO disclosed
US-20170056535-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-03-02 US disclosed
US-20170056535-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-03-02 US disclosed
US-20170056535-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2017-03-02 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-11344637-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885HPGD 2107/4885
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885HPGD 2107/4885
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885HPGD 2107/4885
US-20170056535-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885HPGD 2107/4885
US-10765764-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 KDM4E 4585/4885ALDH1A1 3976/4885HPGD 2107/4885
US-10137211-B2 Probes for imaging Huntingtin protein HTT, HYPK, FABP7 KDM4E 4598/4885ALDH1A1 4205/4885HPGD 2408/4885

“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.