SCHEMBL21937229

SCHEMBL21937229

CC(C)(C)c1nc2cc(CCC(C)(C)c3nc4ccc(Cl)cc4[nH]3)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SSTR4 P31391 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ PSMB8 P28062 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
SCHEMBL18922591 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HPGDALDH1A1L3MBTL1SCN10A
SCHEMBL10248233 0.81 ALDH1A1 (0.61) SMN1; SMN2HPGDALDH1A1SSTR4L3MBTL1
SCHEMBL10248397 0.78 SMN1; SMN2 (0.45) SMN1; SMN2HPGDALDH1A1SSTR4L3MBTL1
SCHEMBL23843237 0.76 ALDH1A1 (0.54) SMN1; SMN2HPGDALDH1A1SSTR4TDP1
SCHEMBL18862125 0.74 ALDH1A1 (0.39) SMN1; SMN2HPGDALDH1A1SSTR4TDP1
SCHEMBL20863743 0.73 TUBB4A (0.41) SMN1; SMN2ALDH1A1L3MBTL1LMNARAB9A
SCHEMBL18727156 0.73 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2
SCHEMBL868599 0.72 SMN1; SMN2 (0.43) SMN1; SMN2HPGDALDH1A1L3MBTL1SCN10A
SCHEMBL18727321 0.71 ALDH1A1 (0.42) SMN1; SMN2HPGDALDH1A1L3MBTL1SCN10A
SCHEMBL23776494 0.71 TUBB4A (0.53) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2

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-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 — — 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-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 SMN1; SMN2 1819/4885HPGD 3590/4885ALDH1A1 1884/4885

“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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