SCHEMBL24033463

SCHEMBL24033463

Cc1cn2cc(NC(=O)c3cnc(N4CC(C)NC(C)C4)cn3)cc(F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ HDAC1 Q13547 1/20 0.42
▸ BCL6 P41182 6/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMO Q99835 2/20 0.40
▸ BACE1 P56817 3/20 0.38
▸ MAPT P10636 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36

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
SCHEMBL24033281 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHDAC1BCL6
SCHEMBL24033556 1.00 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHDAC1BCL6
SCHEMBL24033465 0.90 HDAC1 (0.45) SMN1; SMN2NPC1RAB9AHDAC1ALDH1A1
SCHEMBL24033324 0.90 HDAC1 (0.45) SMN1; SMN2NPC1RAB9AHDAC1ALDH1A1
SCHEMBL24033321 0.90 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL24815989 0.90 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL24033280 0.88 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL25491097 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL25189951 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL25491094 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 — — US disclosed
US-11806346-B2 HTT modulators for treating Huntington's disease CHDI FOUNDATION, INC. (US) 2023-11-07 — — US disclosed
US-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. 2022-12-29 — — US disclosed
WO-2021231571-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE CHDI FOUNDATION, INC. (US) 2021-11-18 — — 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-20220409615-A1 HTT MODULATORS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, ATXN2 SMN1; SMN2 348/4885NPC1 777/4885RAB9A 1713/4885
US-11806346-B2 HTT modulators for treating Huntington's disease HTT, HYPK, ATXN2 SMN1; SMN2 348/4885NPC1 777/4885RAB9A 1713/4885

“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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