SCHEMBL21786464

SCHEMBL21786464

CCOC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c2O)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.53
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FNTA P49354 3/20 0.40
FNTB P49356 3/20 0.40
XDH P47989 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 2/20 0.38
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL24127176 0.91 ALPL (0.58) ALPLMAPTNPC1RAB9AL3MBTL1
SCHEMBL21786532 0.84 ALPL (0.51) ALPLMAPTNPC1RAB9AL3MBTL1
SCHEMBL23913081 0.81 GYS1 (0.41) MAPTL3MBTL1XDHPTGER1
SCHEMBL22791325 0.80 PTGDR2 (0.44) ALPLMAPTXDHPTGER1
SCHEMBL19319832 0.75 GPR55 (0.47) MAPTRAB9AL3MBTL1FNTAFNTB
SCHEMBL5937220 0.75 ALPL (0.70) ALPLMAPTNPC1RAB9AL3MBTL1
SCHEMBL21786591 0.75 KMT2A (0.41) ALPLMAPTNPC1RAB9AKMT2A
SCHEMBL22791300 0.73 ARF6 (0.39) MAPTXDHALDH1A1PTGER1
SCHEMBL21786408 0.73 HPGD (0.45) MAPTNPC1RAB9AL3MBTL1TDP1
SCHEMBL21786533 0.72 ALPL (0.43) ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
WO-2020257261-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-24 WO disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 US disclosed
WO-2020046382-A1 SUBSTITUTED HETEROCYCLES AS C-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-03-05 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ALPL 4695/4885MAPT 3689/4885NPC1 2687/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ALPL 4695/4885MAPT 3689/4885NPC1 2687/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 ALPL 4695/4885MAPT 3689/4885NPC1 2687/4885

“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.