SCHEMBL19799124

SCHEMBL19799124

Cc1cc(NC(=O)c2sccc2C)ccc1C#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.57
RAB9A P51151 10/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TP53 P04637 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
LMNA P02545 2/20 0.55
NAMPT P43490 1/20 0.50
GRM1 Q13255 1/20 0.48
PPARG P37231 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
POLB P06746 2/20 0.46
BLM P54132 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16722485 0.78 BLM (0.51) RAB9ANPC1KMT2ALMNAPOLB
SCHEMBL22626109 0.76 ALDH1A1 (0.65) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL29588415 0.76 ALDH1A1 (0.65) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL17664660 0.76 PKM (0.74) PKMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL31606835 0.74 TGM2 (0.54) LMNABLMALDH1A1
SCHEMBL2767359 0.74 TDP1 (0.49) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL12117514 0.74 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL16841773 0.73 BLM (0.48) BLMALDH1A1
SCHEMBL1389175 0.73 PKM (0.74) PKMRAB9ANPC1SMN1; SMN2MAPT
Water SCHEMBL11223699 0.73 PKM (0.68) PKMRAB9ANPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-20180021273-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-01-25 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 (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-20180021273-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 PKM 1892/4885RAB9A 1838/4885NPC1 1858/4885
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 PKM 1892/4885RAB9A 1838/4885NPC1 1858/4885

“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.