SCHEMBL16632376

SCHEMBL16632376

COc1cc(Cl)cc(Br)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
PRKDC P78527 1/20 0.35
GSK3B P49841 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR4 O95977 1/20 0.33
HSP90AA1 P07900 1/20 0.33
G6PD P11413 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL30234246 1.00 ERN1 (0.39) ERN1POLBL3MBTL1MAPTNPSR1
SCHEMBL264507 0.80 ERN1 (0.40) ERN1POLBL3MBTL1MAPTNPSR1
SCHEMBL1505978 0.80 ERN1 (0.40) ERN1L3MBTL1MAPTNPSR1TRPV4
SCHEMBL17924627 0.80 ALDH1A1 (0.43) ERN1POLBL3MBTL1MAPTNPSR1
SCHEMBL29768451 0.80 ERN1 (0.40) ERN1L3MBTL1MAPTNPSR1TRPV4
SCHEMBL23883881 0.79 KDM4E (0.33) MAPTKDM4E
SCHEMBL30335376 0.79 KDM4E (0.33) MAPTKDM4E
SCHEMBL16632364 0.78 ACHE (0.48) ERN1POLBL3MBTL1MAPTNPSR1
SCHEMBL13494625 0.78 MAP3K14 (0.44) ERN1L3MBTL1MAPTNPSR1TRPV4
SCHEMBL23648094 0.78 TSHR (0.41) ERN1ALDH1A1MCL1

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
US-20230159502-A1 INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
CN-115916748-A Indole derivatives as alpha-1 antitrypsin modulators for the treatment of alpha-1 antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4132908-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-15 EP disclosed
WO-2021203023-A1 INDOLE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20230159502-A1 INDOLE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINB1, SERPINE1 ERN1 1925/4885POLB 1549/4885L3MBTL1 1711/4885
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR ERN1 1343/4885POLB 8/4885L3MBTL1 879/4885

“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.