SCHEMBL19533624

SCHEMBL19533624

CC(=O)c1cc(-c2ccc(C3OCCO3)cc2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 10/20 0.47
▸ CA12 O43570 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RPA1 P27694 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ RET P07949 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.43
▸ LIMK1 P53667 1/20 0.43

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
SCHEMBL19624841 0.88 ALPL (0.60) ALPLCA12KDM4ECA9RPA1
SCHEMBL19544616 0.83 ALPL (0.65) ALPLCA12MAPTCA9RAB9A
SCHEMBL13539275 0.76 ALPL (0.76) ALPLCA12MAPTCA9RAB9A
SCHEMBL13539269 0.76 ALPL (0.73) ALPLCA12MAPTCA9RAB9A
SCHEMBL13539270 0.75 ALPL (0.73) ALPLCA12MAPTCA9RAB9A
SCHEMBL13539283 0.75 ALPL (0.73) ALPLCA12MAPTCA9RAB9A
SCHEMBL10242682 0.75 TP53 (0.74) ALPLCA12KDM4EMAPTPOLB
SCHEMBL13539277 0.74 KDM4E (0.78) ALPLKDM4EMAPTCA9RAB9A
SCHEMBL22414089 0.73 HDAC3 (0.53) ALPLCA12MAPTCA9RAB9A
SCHEMBL19533574 0.73 ALPL (0.53) ALPLCA12MAPTCA9RAB9A

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 3689/4885CA12 4547/4885KDM4E 898/4885

“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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