SCHEMBL11993044

SCHEMBL11993044

Cc1ccc(Br)c(C=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PAX8 Q06710 1/20 0.37
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
PRKDC P78527 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
NCEH1 Q6PIU2 1/20 0.31

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
SCHEMBL6662766 0.86 ERN1 (0.47) ERN1HSP90AA1CYP2A6ALDH1A1TSHR
SCHEMBL18300001 0.82 ERN1 (0.40) ERN1TDP2NSD2HSP90AA1PAX8
SCHEMBL1311843 0.80 ALDH1A1 (0.39) ERN1TDP2NSD2HSP90AA1PAX8
SCHEMBL7864192 0.78 ERN1 (0.50) ERN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12353578 0.78 ERN1 (0.42) ERN1CYP2A6ALDH1A1TSHRPRKDC
SCHEMBL30600412 0.77 ERN1 (0.50) ERN1HSP90AA1CYP2A6ALDH1A1PRKDC
SCHEMBL7864198 0.75 ERN1 (0.66) ERN1ALDH1A1TSHRPRKDCLMNA
SCHEMBL548391 0.74 ALDH1A1 (0.44) ERN1TDP2NSD2HSP90AA1PAX8
SCHEMBL19792394 0.74 ERN1 (0.38) ERN1ALDH1A1TSHRPRKDC
SCHEMBL16346300 0.74 ERN1 (0.50) ERN1ALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652154-A1 NOVEL ALPK1 INHIBITORS Pyrotech (Beijing) Biotechnology Co., Ltd. (CN) 2025-11-26 EP disclosed
WO-2024153225-A1 NOVEL ALPK1 INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2024-07-25 WO disclosed
US-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, INC. 2016-11-03 US disclosed
US-9416146-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2016-08-16 US disclosed
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents ANACOR PHARMACEUTICALS, LLC 2015-10-15 US disclosed
US-9012431-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2015-04-21 US disclosed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2012-08-23 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 (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-20160318955-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ERN1 1887/4885TDP2 2023/4885NSD2 4600/4885
US-20150291629-A1 Boron-Containing Small Molecules as Anti-Inflammatory Agents NFKBIA, LITAF, CD68 ERN1 1887/4885TDP2 2023/4885NSD2 4600/4885
US-20120214765-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, CD68 ERN1 1887/4885TDP2 2023/4885NSD2 4600/4885

“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.