SCHEMBL678567

SCHEMBL678567

CC(C)(C)C(=O)CSC1=NCCS1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
HPGD P15428 5/20 0.53
ALDH1A1 P00352 6/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
ALOX12 P18054 1/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL8239314 0.80 LMNA (0.58) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL12611342 0.78 LMNA (0.60) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL11530859 0.73 KMT2A (0.43) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL4673923 0.72 ALDH1A1 (0.54) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL8907250 0.69
SCHEMBL14408084 0.67 ALDH1A1 (0.74) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL13467059 0.66
SCHEMBL3289759 0.66
SCHEMBL10037471 0.66 LMNA (0.43) LMNAHPGDALDH1A1MAPTKMT2A
SCHEMBL16474025 0.66 KMT2A (0.54) LMNAHPGDALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 LMNA 1863/4885HPGD 4079/4885ALDH1A1 749/4885

“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.