SCHEMBL17553343

SCHEMBL17553343

Clc1ccccc1-c1nc2cc3c(cc2o1)OCO3

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ TP53 P04637 4/20 0.58
▸ MAPT P10636 3/20 0.58
▸ CTSG P08311 2/20 0.57
▸ KLK7 P49862 2/20 0.57
▸ KLK14 Q9P0G3 2/20 0.57
▸ KLK5 Q9Y337 2/20 0.57
▸ PRSS1 P07477 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL29730425 0.80 GSK3B (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL19434362 0.80 GSK3B (0.44) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2248043 0.77 KDM4E (0.52) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL16459759 0.75 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL16972929 0.74 HSD17B10 (0.60) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2242897 0.74 MAPT (1.00) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL28330160 0.74 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL18352966 0.73 KLK7 (1.00) MAPTCTSGKLK7KLK14KLK5
SCHEMBL18353429 0.71 KLK7 (1.00) MAPTCTSGKLK7KLK14KLK5
SCHEMBL9868146 0.69 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2016033460-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 (2 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-10907197-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 NPC1 112/4885RAB9A 993/4885SMN1; SMN2 94/4885
US-20170292150-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 NPC1 112/4885RAB9A 993/4885SMN1; SMN2 94/4885

“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.

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