SCHEMBL4268296

SCHEMBL4268296

NOCC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
HTT P42858 3/20 0.59
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
MAPK1 P28482 1/20 0.59
KLK7 P49862 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
NOTUM Q6P988 1/20 0.56
EPHX2 P34913 2/20 0.55
KDM1A O60341 1/20 0.55
CYP1A2 P05177 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL5017614 0.89 HTT (0.62) MAPTHTTHPGDALOX12MAPK1
SCHEMBL5545852 0.85 CYP2C19 (0.60) MAPTHPGDMAPK1KDM4ECYP2C19
SCHEMBL9125307 0.83 ALDH1A1 (0.65) MAPTHTTHPGDALOX12MAPK1
SCHEMBL18204569 0.83 STAT3 (0.55) MAPTHTTHPGDALOX12MAPK1
SCHEMBL2217750 0.82 MAPT (0.61) MAPTHTTHPGDALOX12MAPK1
SCHEMBL21765474 0.81 SMN1; SMN2 (0.64) MAPTHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL28251305 0.81 ALDH1A1 (0.69) MAPTHPGDKLK7ALDH1A1KDM4E
SCHEMBL22089889 0.81 KLK7 (0.63) MAPTHTTHPGDALOX12MAPK1
SCHEMBL28012910 0.80 HTT (0.59) MAPTHTTHPGDALOX12MAPK1
SCHEMBL588524 0.80 HPGD (0.86) MAPTHTTHPGDALOX12MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200237921-A1 METHOD FOR REMOVING ACETALDEHYDE GE HEALTHCARE LIMITED (GB) 2020-07-30 US disclosed
US-20170360943-A1 METHOD FOR REMOVING ACETALDEHYDE GE HEALTHCARE LIMITED (GB) 2017-12-21 US disclosed
US-20170360943-A1 METHOD FOR REMOVING ACETALDEHYDE GE HEALTHCARE LIMITED (GB) 2017-12-21 US disclosed
US-9587001-B2 Conjugated knottin mini-proteins containing non-natural amino acids THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-03-07 US disclosed
WO-2016087653-A1 METHOD OF REMOVING ACETALDEHYDE FROM RADIOACTIVE PHARMACEUTICALS GE HEALTHCARE LIMITED (GB) 2016-06-09 WO disclosed
US-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 US disclosed
CN-101107000-A 3,6-bicyclolides ENANTA PHARM INC (US) 2008-01-16 CN disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
EP-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 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-20170360943-A1 METHOD FOR REMOVING ACETALDEHYDE ALDH2, ALDH1A1, ADH1A MAPT 2218/4885HTT 842/4885HPGD 104/4885
US-20200237921-A1 METHOD FOR REMOVING ACETALDEHYDE ALDH2, ALDH1A1, ADH1A MAPT 2218/4885HTT 842/4885HPGD 104/4885
US-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 MAPT 4532/4885HTT 3692/4885HPGD 3042/4885

“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.