SCHEMBL21940997

SCHEMBL21940997

C#C[C@](O)(c1ccccc1)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TP53 P04637 3/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 3/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
STAT1 P42224 1/20 0.45
KMT2A Q03164 3/20 0.44
NPY2R P49146 2/20 0.43
MEN1 O00255 2/20 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
SCHEMBL3143230 1.00 RAB9A (0.46) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL1793404 0.98 MAPT (0.46) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL7477981 0.94 ALDH1A1 (0.44) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL8512751 0.92 HDAC6 (0.43) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL1958061 0.86 NPC1 (0.53) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL162513 0.86 LMNA (0.51) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL28370082 0.86 LMNA (0.51) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL25954126 0.85 TERT (0.41) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL1045601 0.85 HTR3E (0.54) MAPTALDH1A1HSD17B10TSHRCHRM2
SCHEMBL26937823 0.85 MAPT (0.39) RAB9AMAPTNPC1SMN1; SMN2TP53

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-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES KANTO KAGAKU KABUSHIKI KAISHA (JP) 2020-04-30 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-20200131193-A1 PYRANOQUINAZOLINE DERIVATIVES AND NAPHTHOPYRAN DERIVATIVES PPOX, TYR, NQO1 RAB9A 1693/4885MAPT 3331/4885NPC1 4373/4885

“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.