SCHEMBL6179897

SCHEMBL6179897

O=C(O)Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.55
ATM Q13315 1/20 0.55
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP1A2 P05177 2/20 0.47
HPRT1 P00492 1/20 0.46
CTSB P07858 3/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5734246 1.00 MAPT (0.57) MAPTALDH1A1HPGDLMNAATM
SCHEMBL5733678 0.86 MAPK1 (0.46) MAPTALDH1A1HPGDLMNAATM
SCHEMBL6182480 0.86 MAPK1 (0.46) MAPTALDH1A1HPGDLMNAATM
SCHEMBL49019 0.81 MAPT (0.49) MAPTALDH1A1HPGDLMNAATM
SCHEMBL49020 0.81 MAPT (0.49) MAPTALDH1A1HPGDLMNAATM
SCHEMBL27544546 0.81 LMNA (0.44) MAPTALDH1A1HPGDLMNAATM
SCHEMBL49018 0.80 ALDH1A1 (0.47) MAPTALDH1A1HPGDLMNAATM
SCHEMBL2515818 0.77 CYP1A2 (0.55) MAPTALDH1A1HPGDLMNAATM
SCHEMBL16990735 0.77 CYP1A2 (0.55) MAPTALDH1A1HPGDLMNAATM
SCHEMBL7826233 0.75 KDM4E (0.59) MAPTALDH1A1HPGDLMNAMEN1

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 MAPT 4757/4885ALDH1A1 3356/4885HPGD 3628/4885

“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.