SCHEMBL19533570

SCHEMBL19533570

CC(=O)c1cc(-c2ccc(Oc3ccccn3)cc2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 5/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ PIN1 Q13526 1/20 0.48
▸ TACR3 P29371 1/20 0.48
▸ HPGDS O60760 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ DHODH Q02127 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ CHEK1 O14757 1/20 0.45

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
SCHEMBL19544670 0.85 MAPT (0.66) ALPLNPC1RAB9AMAPTLMNA
SCHEMBL19533530 0.84 ALPL (0.59) ALPLCA9NPC1RAB9AMAPT
SCHEMBL26890644 0.79 PIN1 (0.74) LMNAPIN1TACR3ALDH1A1GAA
SCHEMBL19624967 0.79 ALDH1A1 (0.40) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL28546187 0.78 ADORA3 (0.41) NPC1RAB9AMAPTSMN1; SMN2TACR3
SCHEMBL10242682 0.77 TP53 (0.74) ALPLMAPTALDH1A1GAATP53
SCHEMBL5598667 0.74 RAB9A (0.58) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL19533569 0.74 DHODH (0.41) RAB9AMAPTALDH1A1DHODH
SCHEMBL2561357 0.73 TP53 (0.73) ALPLCA9PIN1HPGDSGAA
SCHEMBL22414089 0.72 HDAC3 (0.53) ALPLCA9NPC1RAB9AMAPT

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 3635/4885NPC1 3497/4885

“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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