SCHEMBL10523397

SCHEMBL10523397

NCCNCCNc1ccc(NCCNCCN)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
BLM P54132 3/20 0.75
USP2 O75604 3/20 0.75
TP53 P04637 3/20 0.75
MAPK1 P28482 3/20 0.75
RECQL P46063 3/20 0.75
TDP1 Q9NUW8 3/20 0.75
NSD2 O96028 3/20 0.75
CSNK2A2 P19784 3/20 0.75
CSNK2B P67870 3/20 0.75
CSNK2A1 P68400 3/20 0.75
CSNK2A3 Q8NEV1 3/20 0.75
LMNA P02545 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
TOP2A P11388 2/20 0.75
NPC1 O15118 2/20 0.75
MTOR P42345 2/20 0.75
RAB9A P51151 2/20 0.75
CYP3A4 P08684 2/20 0.75

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
SCHEMBL10326995 0.93 MEN1 (0.66) MEN1KMT2ABLMUSP2TP53
SCHEMBL10524500 0.90 CYP19A1 (0.73) MEN1KMT2ABLMUSP2TP53
SCHEMBL4885984 0.90 CYP19A1 (0.68) MEN1KMT2ABLMUSP2TP53
SCHEMBL11517791 0.90 CYP19A1 (0.68) MEN1KMT2ABLMUSP2TP53
SCHEMBL29350310 0.90 CYP19A1 (0.68) MEN1KMT2ABLMUSP2TP53
SCHEMBL12282411 0.90 MEN1 (0.66) MEN1KMT2ABLMUSP2TP53
Hydrochloric Acid SCHEMBL11150067 0.89 CYP19A1 (0.71) MEN1KMT2ABLMUSP2TP53
SCHEMBL11279729 0.89 CYP19A1 (0.71) MEN1KMT2ABLMUSP2TP53
Hydrochloric Acid SCHEMBL7204221 0.89 CYP19A1 (0.66) MEN1KMT2ABLMUSP2TP53
SCHEMBL13993010 0.88 KMT2A (0.63) MEN1KMT2ABLMUSP2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4456552-A CHELATION, ANTITUMOR AMERICAN CYANAMID COMPANY (US) 1984-06-26 US claimed
US-20170071950-A1 METHODS FOR INHIBITING CELLULAR UPTAKE OF THE ANTHRAX LETHAL TOXIN (LT) PROTEIN COMPLEX ENZO BIOCHEM, INC. (US) 2017-03-16 US disclosed
US-8969339-B2 Compositions and methods for bone formation and modeling ENZO BIOCHEM, INC. (US) 2015-03-03 US disclosed
US-8969339-B2 Compositions and methods for bone formation and modeling ENZO BIOCHEM, INC. (US) 2015-03-03 US disclosed
US-20130172332-A1 COMPOSITIONS AND METHODS FOR BONE FORMATION AND MODELING ENZO BIOCHEM, INC. (US) 2013-07-04 US disclosed
US-20130172332-A1 COMPOSITIONS AND METHODS FOR BONE FORMATION AND MODELING ENZO BIOCHEM, INC. (US) 2013-07-04 US disclosed
US-8367822-B2 Compositions and methods for bone formation and remodeling ENZO THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
US-8367822-B2 Compositions and methods for bone formation and remodeling ENZO THERAPEUTICS, INC. (US) 2013-02-05 US disclosed
WO-2009035430-A2 COMPOSITIONS AND METHODS FOR BONE FORMATION AND REMODELING ENZO THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
US-4820738-A ANTITUMOR AGENTS; CHELATING AGENTS; GROWTH INHIBITORS; LEUKEMIA AMERICAN CYANAMID COMPANY (US) 1989-04-11 US disclosed
US-4614618-A CHELATING AGENTS AND ANTICANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1986-09-30 US disclosed
US-4540519-A CHELATE COMPOUNDS, ANTICANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1985-09-10 US disclosed
US-4526989-A And ascorbic acid salt AMERICAN CYANAMID COMPANY (US) 1985-07-02 US disclosed
US-4456552-A CHELATION, ANTITUMOR AMERICAN CYANAMID COMPANY (US) 1984-06-26 US disclosed
US-4430501-A CHELATION, ANTITUMOR, COMPLEXING, SEQUESTERING AMERICAN CYANAMID COMPANY (US) 1984-02-07 US disclosed
EP-0037486-B1 METAL CHELATES OF 1,4-BIS(SUBSTITUTED-AMINO)-5,8-DIHYDROXY-ANTHRAQUINONES AMERICAN CYANAMID COMPANY (US) 1984-01-25 EP disclosed
US-4296030-A ANTITUMOR AGENTS, DYES AMERICAN CYANAMID COMPANY (US) 1981-10-20 US disclosed
EP-0037486-A2 Metal chelates of 1,4-bis(substituted-amino)-5,8-dihydroxy-anthraquinones AMERICAN CYANAMID COMPANY (US) 1981-10-14 EP disclosed
US-4278689-A ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1981-07-14 US disclosed
US-4197249-A ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-08 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-20130172332-A1 COMPOSITIONS AND METHODS FOR BONE FORMATION AND MODELING LRP6, BMP6, WNT3A MEN1 3827/4885KMT2A 4661/4885BLM 4476/4885
US-20170071950-A1 METHODS FOR INHIBITING CELLULAR UPTAKE OF THE ANTHRAX LETHAL TOXIN (LT) PROTEIN COMPLEX ANTXR2, LRP6, WNT3A MEN1 3828/4885KMT2A 4689/4885BLM 4629/4885

“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.