SCHEMBL15713799

SCHEMBL15713799

CCCCOCC(=O)Nc1cc(I)cnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CHEK1 O14757 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 3/20 0.34
LMNA P02545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16709314 0.77 CSNK1D (0.45) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL2756208 0.72 CNR2 (0.43) ALDH1A1MAPTTSHRRECQLHPGD
SCHEMBL2756458 0.68 MAPT (0.63) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL28522607 0.67 ALDH1A1 (0.46) ALDH1A1MAPTTSHRLMNAL3MBTL1
SCHEMBL6775929 0.65 ALDH1A1 (0.48) ALDH1A1MAPTTSHRHPGDLMNA
SCHEMBL18464170 0.65 HPGD (0.58) ALDH1A1MAPTTSHRRECQLHPGD
SCHEMBL17183962 0.65 ALDH1A1 (0.60) ALDH1A1MAPTTSHRRECQLHPGD
SCHEMBL20330016 0.64 CES2 (0.46) ALDH1A1MAPTTSHRRECQLHPGD
SCHEMBL20234274 0.64 CES2 (0.46) ALDH1A1MAPTTSHRRECQLHPGD
SCHEMBL23330868 0.63 CHEK1 (0.44) ALDH1A1CHEK1MAPTTSHRRECQL

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
US-20160367531-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-22 US disclosed
US-9458150-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-04 US disclosed
US-20150307517-A1 ANTIMICROBIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2015-10-29 US disclosed
US-20150133465-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-05-14 US disclosed
WO-2014074932-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-15 WO 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-20160367531-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 ALDH1A1 1945/4885CHEK1 4261/4885MAPT 4729/4885
US-20150133465-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 ALDH1A1 1945/4885CHEK1 4261/4885MAPT 4729/4885
US-20150307517-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 ALDH1A1 1945/4885CHEK1 4261/4885MAPT 4729/4885

“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.