SCHEMBL25119608

SCHEMBL25119608

O=C(N/N=C/c1ccccc1)c1n[nH]c2c1CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 13/20 1.00
▸ SMN1; SMN2 Q16637 11/20 1.00
▸ RAB9A P51151 9/20 1.00
▸ MAPT P10636 7/20 1.00
▸ LMNA P02545 8/20 0.79
▸ HTT P42858 4/20 0.79
▸ KDM4E B2RXH2 3/20 0.79
▸ PLK1 P53350 1/20 0.79
▸ ALDH1A1 P00352 3/20 0.76
▸ KMT2A Q03164 4/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ MITF O75030 1/20 0.72
▸ XBP1 P17861 1/20 0.72
▸ HPGD P15428 2/20 0.70
▸ NPSR1 Q6W5P4 3/20 0.69
▸ GAA P10253 3/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ NFKB2 Q00653 2/20 0.69
▸ RELA Q04206 2/20 0.69
▸ DPP4 P27487 2/20 0.69

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
SCHEMBL25119646 0.88 NPC1 (1.00) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL25119620 0.88 NPC1 (1.00) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL25119658 0.88 NPC1 (0.79) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL25119870 0.88 NPC1 (0.79) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL3501048 0.87 NPC1 (0.77) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL3501054 0.87 NPC1 (0.77) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL25119671 0.84 NPC1 (0.73) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL25119640 0.82 NPC1 (0.77) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL29209514 0.82 NPC1 (0.77) NPC1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL25119614 0.80 NPC1 (0.70) NPC1SMN1; SMN2RAB9AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230097420-A1 INDAZOLE HYDRAZIDE COMPOUND AND APPLICATION THEREOF PEKING UNIVERSITY FIRST HOSPITAL (CN) 2023-03-30 — — 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 (1 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-20230097420-A1 INDAZOLE HYDRAZIDE COMPOUND AND APPLICATION THEREOF ITGB3, AR, HDAC3 NPC1 3708/4885SMN1; SMN2 4858/4885RAB9A 1588/4885

“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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