SCHEMBL1769919

SCHEMBL1769919

CCN(CC)c1ccc2c(c1)Sc1cc(NCCCCC(=O)O)c3ccccc3c1N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
ATM Q13315 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GFER P55789 1/20 0.33
CDK2 P24941 1/20 0.33
FABP4 P15090 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
SCHEMBL29565964 0.83 IDO1 (0.33) MEN1KMT2AMAPTTDP1HSD17B10
SCHEMBL29912733 0.83 IDO1 (0.33) MEN1KMT2AMAPTTDP1HSD17B10
SCHEMBL1133892 0.83 IDO1 (0.33) MEN1KMT2AMAPTTDP1HSD17B10
Hydrochloric Acid SCHEMBL498746 0.82 GAA (0.33) MEN1KMT2AMAPTTDP1HSD17B10
Hydrochloric Acid SCHEMBL20994607 0.82 GAA (0.33) MEN1KMT2AMAPTTDP1HSD17B10
Hydrochloric Acid SCHEMBL29920895 0.71 KDM4E (0.31) MAPTTDP1HSD17B10ALDH1A1LMNA
Hydrochloric Acid SCHEMBL6806923 0.71 KDM4E (0.31) MAPTTDP1HSD17B10ALDH1A1LMNA
SCHEMBL972682 0.68 SNCA (0.46) MEN1KMT2AMAPTTDP1HSD17B10
SCHEMBL7209663 0.66 MAPT (0.33) MEN1KMT2AMAPTTDP1NPC1
Iodide SCHEMBL3711622 0.66 NOX1 (0.55) MEN1KMT2AMAPTTDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795491-B2 Photoactivatable antimicrobial agents and therapeutic and diagnostic methods of using same THE GENERAL HOSPITAL CORPORATION (US) 2023-10-24 US disclosed
EP-3056497-B1 METHODS USING BODIPY-LABELLED ENZYME SUBSTRATES MASSACHUSETTS GEN HOSPITAL (US) 2018-08-29 EP disclosed
US-20180094292-A1 Photoactivatable Antimicrobial Agents And Therapeutic And Diagnostic Methods Of Using Same THE GENERAL HOSPITAL CORPORATION 2018-04-05 US disclosed
US-9828622-B2 Photoactivatable antimicrobial agents and therapeutic and diagnostic methods of using same THE GENERAL HOSPITAL CORPORATION (US) 2017-11-28 US disclosed
EP-3056497-A1 BODIPY-LABELLED ENZYME SUBSTRATES AND METHODS USING THEM The General Hospital Corporation (US) 2016-08-17 EP disclosed
EP-2285381-B1 PHOTOACTIVATABLE BETA-LACTAMASE SUBSTRATES AND ANALYTICAL METHODS OF USING SAME GEN HOSPITAL CORP (US) 2015-12-16 EP disclosed
US-20110112059-A1 PHOTOACTIVATABLE ANTIMICROBIAL AGENTS AND THERAPEUTIC AND DIAGNOSTIC METHODS OF USING SAME THE GENERAL HOSPITAL CORPORATION (US) 2011-05-12 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-20180094292-A1 Photoactivatable Antimicrobial Agents And Therapeutic And Diagnostic Methods Of Using Same HMBS, GUSB, LCT MEN1 2963/4885KMT2A 1703/4885MAPT 2958/4885
US-11795491-B2 Photoactivatable antimicrobial agents and therapeutic and diagnostic methods of using same HMBS, GUSB, LCT MEN1 2963/4885KMT2A 1703/4885MAPT 2958/4885
US-20110112059-A1 PHOTOACTIVATABLE ANTIMICROBIAL AGENTS AND THERAPEUTIC AND DIAGNOSTIC METHODS OF USING SAME HMBS, GUSB, LCT MEN1 2963/4885KMT2A 1703/4885MAPT 2958/4885

“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.