SCHEMBL17544622

SCHEMBL17544622

COc1ccc(COc2ccc3oc(-c4ccc[n+]([O-])c4)nc3c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 4/20 0.42
PTPN1 P18031 4/20 0.42
PTPN5 P54829 4/20 0.42
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 5/20 0.42
HPGD P15428 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 7/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL29681323 1.00 PTPN2 (0.42) PTPN2PTPN1PTPN5ALDH1A1RAB9A
SCHEMBL21572848 0.89 ALDH1A1 (0.43) PTPN2PTPN1PTPN5ALDH1A1RAB9A
SCHEMBL30403155 0.89 PTPN2 (0.42) PTPN2PTPN1PTPN5ALDH1A1RAB9A
SCHEMBL29000641 0.89 PTPN2 (0.42) PTPN2PTPN1PTPN5ALDH1A1RAB9A
SCHEMBL23633322 0.82 SMN1; SMN2 (0.58) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL29681162 0.82 MAPT (0.55) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL17544356 0.82 MAPT (0.55) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL30402272 0.82 MAPT (0.55) ALDH1A1RAB9AHPGDSMN1; SMN2NPC1
SCHEMBL17544004 0.81 ALDH1A1 (0.49) PTPN2PTPN1PTPN5ALDH1A1RAB9A
SCHEMBL17544189 0.81 HSD17B10 (0.44) PTPN2PTPN1PTPN5ALDH1A1RAB9A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200102328-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2020-04-02 US claimed
US-10479802-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2019-11-19 US claimed
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 US claimed
EP-3186233-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-07-05 EP claimed
WO-2016033445-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO claimed
US-12258355-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2025-03-25 US disclosed
US-12083108-B2 Compounds for targeting mutant huntingtin protein and uses thereof CHDI FOUNDATION, INC. (US) 2024-09-10 US disclosed
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
US-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2023-07-06 US disclosed
US-20220409600-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI FOUNDATION, INC. 2022-12-29 US disclosed
US-11389438-B2 Compounds for targeting mutant huntingtin protein and uses thereof CHDI FOUNDATION, INC. (US) 2022-07-19 US disclosed
EP-4006016-A2 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2022-06-01 EP disclosed
US-11059836-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-07-13 US disclosed
US-20200276176-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF CHDI FOUNDATION, INC. 2020-09-03 US disclosed
US-20200102328-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2020-04-02 US disclosed
US-10479802-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2019-11-19 US disclosed
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 US disclosed
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 US disclosed
EP-3186233-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-07-05 EP disclosed
WO-2016033445-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 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 (10 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-20230212190-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 PTPN2 4343/4885PTPN1 4155/4885PTPN5 4285/4885
US-12083108-B2 Compounds for targeting mutant huntingtin protein and uses thereof HTT, HYPK, UBQLN2 PTPN2 2674/4885PTPN1 2836/4885PTPN5 2593/4885
US-11389438-B2 Compounds for targeting mutant huntingtin protein and uses thereof HTT, HYPK, UBQLN2 PTPN2 2674/4885PTPN1 2836/4885PTPN5 2593/4885
US-20200276176-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF HTT, HYPK, UBQLN2 PTPN2 2674/4885PTPN1 2836/4885PTPN5 2593/4885
US-10479802-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 PTPN2 4402/4885PTPN1 4318/4885PTPN5 4418/4885
US-20220409600-A1 COMPOUNDS FOR TARGETING MUTANT HUNTINGTIN PROTEIN AND USES THEREOF HTT, HYPK, UBQLN2 PTPN2 2674/4885PTPN1 2836/4885PTPN5 2593/4885
US-11059836-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 PTPN2 4343/4885PTPN1 4155/4885PTPN5 4285/4885
US-20200102328-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 PTPN2 4343/4885PTPN1 4155/4885PTPN5 4285/4885
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 PTPN2 4402/4885PTPN1 4318/4885PTPN5 4418/4885
US-12258355-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 PTPN2 4343/4885PTPN1 4155/4885PTPN5 4285/4885

“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.