SCHEMBL6790893

SCHEMBL6790893

NN(C(=O)C(=O)O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FEN1 P39748 2/20 0.37
ERCC5 P28715 1/20 0.37
POLB P06746 2/20 0.36
AOC3 Q16853 1/20 0.35
CTBP2 P56545 1/20 0.35
TSHR P16473 1/20 0.34
AKR1B1 P15121 1/20 0.34
PTPN1 P18031 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL4021117 0.84 ALDH1A1 (0.43) ALDH1A1CES2CES1POLBAOC3
SCHEMBL28042518 0.79 DEPTOR (0.42) ALDH1A1CES2CES1POLBTSHR
SCHEMBL10441686 0.78 AOC3 (0.40) ALDH1A1CES2CES1POLBAOC3
SCHEMBL6781028 0.77 PTPN1 (0.34) POLBTSHRPTPN1MEN1KMT2A
SCHEMBL5429550 0.76 AOC3 (0.38) ALDH1A1CES2CES1POLBAOC3
SCHEMBL27669364 0.76 POLB (0.37) ALDH1A1CES2CES1POLBAOC3
Bicarbonate SCHEMBL29118429 0.75 ALDH1A1 (0.46) ALDH1A1CES2CES1FEN1ERCC5
SCHEMBL11048011 0.73 NPSR1 (0.52) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL10780634 0.70 TSHR (0.44) ALDH1A1FEN1ERCC5TSHRMEN1
Hydrochloric Acid SCHEMBL4510368 0.70 TDP1 (0.40) ALDH1A1CES2CES1AOC3AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6753334-B2 PREPARING A PHENYL OR QUINOLINYL HYDRAZINE BY REDUCING THE CORRESPONDING DIAZONIUM SALT WITH ASCORBIC ACID AND HEATING; COLORLESS PRODUCT; INTERMEDIATES TO DRUGS FOR REDUCING TISSUE DAMAGE FROM ISCHEMIA OR HYPOXIA PFIZER, INC. 2004-06-22 US disclosed
EP-1337508-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2003-08-27 EP disclosed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US disclosed
WO-2002044133-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 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 (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-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors SLC9A1, NHERF1, SLC9A5 ALDH1A1 531/4885CES2 1289/4885CES1 206/4885

“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.