SCHEMBL16144371

SCHEMBL16144371

C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
GPR35 Q9HC97 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL14904745 1.00 KMT2A (0.51) KMT2AMAPK1L3MBTL1MEN1TSHR
SCHEMBL18556230 1.00 KMT2A (0.51) KMT2AMAPK1L3MBTL1MEN1TSHR
SCHEMBL16144470 0.86 KMT2A (0.50) KMT2AMAPK1L3MBTL1MEN1TSHR
SCHEMBL14894965 0.85 SMN1; SMN2 (0.49) L3MBTL1GPR35MAPTALDH1A1
SCHEMBL14894966 0.85 SMN1; SMN2 (0.49) L3MBTL1GPR35MAPTALDH1A1
SCHEMBL16144705 0.83 MAPT (0.48) KMT2AMAPTLMNACRHBPCRHR2
SCHEMBL16144713 0.83 MAPT (0.48) KMT2AMAPTLMNACRHBPCRHR2
SCHEMBL14904735 0.83 MAPT (0.48) KMT2AMAPTLMNACRHBPCRHR2
SCHEMBL12260701 0.83 POLB (0.42) KMT2AL3MBTL1HPGDGPR35MAPT
SCHEMBL14905797 0.81 CXCR1 (0.47) KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-15 US disclosed
US-9388149-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-07-12 US disclosed
US-20140296254-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-10-02 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-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCL2, CCR1, CCL11 KMT2A 4635/4885MAPK1 1205/4885L3MBTL1 4524/4885
US-20140296254-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCL2, CCL11, CCR1 KMT2A 4676/4885MAPK1 1129/4885L3MBTL1 4382/4885

“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.