SCHEMBL19792579

SCHEMBL19792579

Cc1cc(C)c2nc(NCCCCC#N)sc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
RORC P51449 1/20 0.41
RAB9A P51151 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.35
RIPK1 Q13546 1/20 0.35
LCK P06239 1/20 0.34
PKM P14618 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
SCHEMBL27852368 0.82 GAA (0.54) NPC1MEN1KMT2AGAAHSD17B10
SCHEMBL22640022 0.76 NPC1 (0.53) NPC1MEN1KMT2AGAAHSD17B10
SCHEMBL19504338 0.70 RAB9A (0.57) NPC1MEN1KMT2AGAAALDH1A1
SCHEMBL22074675 0.70 HSD17B10 (0.61) NPC1MEN1KMT2AGAAHSD17B10
SCHEMBL27815118 0.69 NPC1 (0.69) NPC1MEN1KMT2AGAAHSD17B10
SCHEMBL27834219 0.69 NPC1 (0.46) NPC1MEN1KMT2AGAAALDH1A1
SCHEMBL24707361 0.68 GAA (0.48) NPC1MEN1KMT2AGAAHSD17B10
SCHEMBL22855169 0.66 CRHR1 (0.43) NPC1MEN1KMT2AGAAALDH1A1
SCHEMBL22855434 0.64 CRHR1 (0.44) NPC1MEN1KMT2AGAARAB9A
SCHEMBL10272977 0.63 HSD17B10 (0.66) NPC1MEN1KMT2AGAAHSD17B10

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-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 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 (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-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 NPC1 4194/4885MEN1 1581/4885KMT2A 3183/4885

“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.