SCHEMBL25722850

SCHEMBL25722850

CCNc1ncccc1/C=C/C(=O)Nc1cc(C)c(CC)cc1NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 11/20 0.42
▸ RAB9A P51151 11/20 0.42
▸ SMN1; SMN2 Q16637 7/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 6/20 0.38
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL25723226 0.93 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25722832 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25724862 0.83 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25723923 0.79 NPC1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25725946 0.77 NAMPT (0.50) NPC1RAB9A
SCHEMBL25724174 0.77 NAMPT (0.50) NPC1RAB9A
SCHEMBL23059680 0.76 NPC1 (0.45) NPC1RAB9ASMN1; SMN2HPGDL3MBTL1
SCHEMBL25723865 0.75 LMNA (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25723243 0.73 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL25724197 0.72 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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-20230202980-A1 N-(2-Aminophenyl)-Prop-2-Enamide Derivatives, and Uses Thereof in the Treatment of Cancer THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2023-06-29 — — 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-20230202980-A1 N-(2-Aminophenyl)-Prop-2-Enamide Derivatives, and Uses Thereof in the Treatment of Cancer SALL4, GLI2, GLI1 NPC1 3763/4885RAB9A 2121/4885SMN1; SMN2 612/4885

“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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