SCHEMBL6180150

SCHEMBL6180150

O=C(O)Cc1ccc(NC(=O)OCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.57
ALDH1A1 P00352 3/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MGLL Q99685 2/20 0.52
POLB P06746 1/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.51
CYP1A2 P05177 1/20 0.50
ROCK2 O75116 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45

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
SCHEMBL6183422 0.88 ALDH1A1 (0.53) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL6183972 0.87 ALDH1A1 (0.52) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL906526 0.83 MEN1 (0.63) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL18812865 0.83 LMNA (0.65) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL29463677 0.83 LMNA (0.65) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL12325527 0.83 KMT2A (0.63) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL17761731 0.83 MGLL (0.54) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL17653813 0.81 MGLL (0.54) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL8481880 0.81 ALDH1A1 (0.53) ENPP2ALDH1A1TP53MAPTNPC1
SCHEMBL7045118 0.81 ALDH1A1 (0.52) ENPP2ALDH1A1TP53MAPTNPC1

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
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 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 (1 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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 ENPP2 4449/4885ALDH1A1 3356/4885TP53 471/4885

“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.