SCHEMBL21291322

SCHEMBL21291322

CCCCCC(CCC)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.42
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
CASR P41180 1/20 0.41
ALOX5 P09917 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
NFKB1 P19838 1/20 0.40
STAT1 P42224 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL13982831 0.92 LOXL2 (0.57) LOXL2HPGDPKMRAB9ANPC1
Bromide SCHEMBL10646476 0.89 LOXL2 (0.48) LOXL2HPGDPKMRAB9ANPC1
SCHEMBL20653143 0.86 LOXL2 (0.54) LOXL2HPGDPKMRAB9ANPC1
SCHEMBL27940631 0.82 LOXL2 (0.50) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL3030726 0.82 LOXL2 (0.50) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL18924692 0.82 LOXL2 (0.61) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL21013849 0.82 LOXL2 (0.61) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL27921995 0.81 LOXL2 (0.49) LOXL2HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL12465076 0.79 LOXL2 (0.60) LOXL2HPGDPKMRAB9ANPC1
SCHEMBL30093448 0.79 LOXL2 (0.60) LOXL2HPGDPKMRAB9ANPC1

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-11124524-B2 Diarylethene compounds and uses thereof SOLUTIA CANADA INC. (US) 2021-09-21 US disclosed
US-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF SWITCH MATERIALS, INC. (CA) 2019-08-22 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-20190256526-A1 DIARYLETHENE COMPOUNDS AND USES THEREOF KCNH2, KCNH3, SCN2B LOXL2 3795/4885HPGD 836/4885PKM 4391/4885
US-11124524-B2 Diarylethene compounds and uses thereof KCNH2, KCNH3, SCN2B LOXL2 3795/4885HPGD 836/4885PKM 4391/4885

“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.