SCHEMBL18548610

SCHEMBL18548610

CCOC(=O)c1ccn2c(n1)nc1ccc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 2/20 0.43
ADORA2B P29275 1/20 0.43
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
HPGD P15428 1/20 0.40
ELANE P08246 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL29660237 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP1A2MAPTATM
SCHEMBL18548712 0.91 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP1A2MAPTATM
SCHEMBL18548688 0.85 KDM4E (0.49) ALDH1A1SMN1; SMN2CYP1A2MAPTATM
SCHEMBL29660200 0.83 CYP1A2 (0.51) ALDH1A1SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL18548710 0.83 CYP1A2 (0.51) ALDH1A1SMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL18548595 0.81 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2ATMKDM4EHTT
SCHEMBL27365441 0.79 DPP4 (0.48) ALDH1A1CYP1A2ADORA2BKDM4EHPGD
SCHEMBL29660209 0.78 KDM4E (0.46) ALDH1A1SMN1; SMN2CYP1A2MAPTATM
SCHEMBL18548622 0.78 KDM4E (0.46) ALDH1A1SMN1; SMN2CYP1A2MAPTATM
SCHEMBL2001591 0.74 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2CYP1A2MAPTATM

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
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-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-10137211-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2018-11-27 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 ALDH1A1 3976/4885SMN1; SMN2 106/4885CYP1A2 4836/4885
US-20210060187-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 ALDH1A1 3976/4885SMN1; SMN2 106/4885CYP1A2 4836/4885
US-20190167821-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 ALDH1A1 3976/4885SMN1; SMN2 106/4885CYP1A2 4836/4885
US-20170056535-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 ALDH1A1 3976/4885SMN1; SMN2 106/4885CYP1A2 4836/4885
US-10765764-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 ALDH1A1 3976/4885SMN1; SMN2 106/4885CYP1A2 4836/4885
US-10137211-B2 Probes for imaging Huntingtin protein HTT, HYPK, FABP7 ALDH1A1 4205/4885SMN1; SMN2 66/4885CYP1A2 4861/4885

“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.