SCHEMBL5192063

SCHEMBL5192063

NCCC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
TERT O14746 2/20 0.54
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.50
FFAR1 O14842 1/20 0.50
LTA4H P09960 1/20 0.49

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
SCHEMBL1663647 0.85 CA2 (0.58) POLBCYP1A2CYP2C9CA12CA2
SCHEMBL4400398 0.84 L3MBTL1 (0.71) CYP1A2CYP2C9ALDH1A1L3MBTL1LTA4H
SCHEMBL18602214 0.84 MAPT (0.68) POLBTERTALDH1A1MEN1KMT2A
SCHEMBL11031322 0.83 CYP1A2 (0.67) CYP1A2CYP2C9ALDH1A1L3MBTL1LTA4H
SCHEMBL7824720 0.83 CYP1A1 (0.70) POLBCYP1A2CYP2C9CA12CA2
Hydrochloric Acid SCHEMBL12477633 0.82 L3MBTL1 (0.69) CYP1A2CYP2C9ALDH1A1L3MBTL1KMT2A
SCHEMBL265614 0.81 TP53 (0.70) POLBCYP1A2CYP2C9CA12CA2
SCHEMBL11520695 0.81 CA2 (0.58) POLBCYP1A2CYP2C9CA12CA2
SCHEMBL4683731 0.81 CYP1A2 (0.56) POLBCYP1A2CYP2C9CA12CA2
SCHEMBL28010779 0.81 POLB (0.57) POLBCYP1A2CYP2C9CA12CA2

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
EP-1294722-B1 METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES MERCK EPROVA AG (CH) 2007-08-01 EP claimed
EP-2956437-B1 ALBICIDIN DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS UNIV BERLIN TECH (DE) 2023-05-10 EP disclosed
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 US disclosed
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2015-12-31 US disclosed
WO-2014125075-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2014-08-21 WO disclosed
EP-1294722-B1 METHODS OF SYNTHESIS FOR 9-SUBSTITUTED HYPOXANTHINE DERIVATIVES MERCK EPROVA AG (CH) 2007-08-01 EP 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-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 POLB 305/4885CYP1A2 1530/4885CYP2C9 803/4885
US-20150376120-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS MB, ALB, BCAT2 POLB 305/4885CYP1A2 1530/4885CYP2C9 803/4885

“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.