SCHEMBL19533659

SCHEMBL19533659

CCOC(=O)c1[nH]nc(-c2ccc(Oc3ccccc3)nc2)c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SCN9A Q15858 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ ACACB O00763 3/20 0.39

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
SCHEMBL19624842 0.90 HPGDS (0.51) HPGDSALDH1A1HPGDHSD17B10LTA4H
SCHEMBL19544658 0.87 SCN9A (0.54) HPGDSALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL19544677 0.85 PTGS2 (0.48) HPGDSALDH1A1HPGDHSD17B10POLB
SCHEMBL19544753 0.85 HPGDS (0.46) HPGDSALDH1A1HPGDHSD17B10LTA4H
SCHEMBL19533660 0.78 HPGDS (0.78) HPGDSALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL19624943 0.75 ALDH1A1 (0.53) HPGDSALDH1A1HPGDHSD17B10POLB
SCHEMBL25171648 0.75 DUSP3 (0.56) HPGDSALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL19805499 0.75 KDM4E (0.49) HPGDSALDH1A1HPGDHSD17B10POLB
SCHEMBL2255952 0.73 PDE4B (0.56) CYP1A2CYP2C19POLBCYP2C9L3MBTL1
SCHEMBL19544883 0.73 MAPT (0.44) HPGDSALDH1A1HPGDHSD17B10L3MBTL1

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
EP-3246317-B1 BTK INHIBITOR HUBEI BIO PHARMACEUTICAL INDUSTRIAL TECH INSTITUTE INC (CN) 2023-02-22 — — EP disclosed
US-10662174-B2 BTK inhibitor HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2020-05-26 — — US disclosed
EP-3246317-A1 BTK INHIBITOR Hubei Bio-Pharmaceutical Industrial Technological Institute Inc. (CN) 2017-11-22 — — EP disclosed
US-20170313683-A1 BTK INHIBITOR HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. (CN) 2017-11-02 — — US disclosed
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 (2 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-10662174-B2 BTK inhibitor BTK, SYK, LYN HPGDS 3334/4885ALDH1A1 4122/4885HPGD 4511/4885
US-20170313683-A1 BTK INHIBITOR BTK, SYK, LYN HPGDS 3334/4885ALDH1A1 4122/4885HPGD 4511/4885

“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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