SCHEMBL21482707

SCHEMBL21482707

c1ccc(-n2nnnc2SCCc2ccccn2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.76
▸ MAPT P10636 3/20 0.76
▸ GAA P10253 2/20 0.76
▸ TSHR P16473 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ NFKB2 Q00653 2/20 0.60
▸ RELA Q04206 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ LMNA P02545 5/20 0.59
▸ HPGD P15428 5/20 0.59
▸ POLB P06746 4/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ HSD17B10 Q99714 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52

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
SCHEMBL21482459 0.82 ALDH1A1 (0.68) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL10970208 0.79 ALDH1A1 (0.71) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL10973042 0.79 ALDH1A1 (0.71) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL21482464 0.79 ALDH1A1 (0.71) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL7301329 0.77 ALDH1A1 (0.66) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL10972734 0.74 ALDH1A1 (0.63) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL16116944 0.74 ALDH1A1 (0.72) ALDH1A1MAPTTSHRSMN1; SMN2NPC1
SCHEMBL7303919 0.74 ALDH1A1 (0.66) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL3698359 0.74 ALDH1A1 (0.87) ALDH1A1MAPTGAATSHRSMN1; SMN2
SCHEMBL16526226 0.73 ALDH1A1 (0.70) ALDH1A1MAPTTSHRSMN1; SMN2NPC1

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-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-06-03 — — US disclosed
WO-2019199667-A2 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE KEANEY GREGG F (US) 2019-10-17 — — WO 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-20210163456-A1 CERTAIN PLADIENOLIDE COMPOUNDS AND METHODS OF USE PLAAT5, PLAAT3, PLAAT4 ALDH1A1 3225/4885MAPT 4316/4885GAA 521/4885

“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.

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