SCHEMBL19533574

SCHEMBL19533574

CC(=O)c1cc(-c2ccc(OC3CC3)cc2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 9/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ MAPT P10636 6/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ LMNA P02545 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ POLB P06746 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ ACR P10323 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL19533579 0.88 ALPL (0.50) ALPLCA9MAPTRAB9ANPC1
SCHEMBL19533663 0.86 ALPL (0.48) ALPLCA9MAPTRAB9ANPC1
SCHEMBL19544602 0.85 MAPT (0.73) ALPLCA9MAPTRAB9ANPC1
SCHEMBL19533530 0.78 ALPL (0.59) ALPLCA9MAPTRAB9ANPC1
SCHEMBL13539275 0.76 ALPL (0.76) ALPLCA9MAPTRAB9ANPC1
SCHEMBL13539269 0.76 ALPL (0.73) ALPLCA9MAPTRAB9ANPC1
SCHEMBL19624976 0.76 HRH3 (0.49) ALPLCA9MAPTRAB9ANPC1
SCHEMBL19544978 0.76 MAPT (0.67) ALPLCA9MAPTRAB9ANPC1
SCHEMBL13539270 0.75 ALPL (0.73) ALPLCA9MAPTRAB9APOLB
SCHEMBL13539283 0.75 ALPL (0.73) ALPLCA9MAPTRAB9APOLB

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-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — 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-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN ALPL 3689/4885CA9 3635/4885MAPT 418/4885

“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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