SCHEMBL6182480

SCHEMBL6182480

Nc1cc([N+](=O)[O-])c(CC(=O)O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
ATM Q13315 1/20 0.42
CTSB P07858 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CTSD P07339 1/20 0.40
CASP6 P55212 1/20 0.40
TSHR P16473 1/20 0.39
FBP1 P09467 1/20 0.39

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
SCHEMBL5733678 1.00 MAPK1 (0.46) MAPK1CYP1A2HPGDMAPTALDH1A1
SCHEMBL6179897 0.86 MAPT (0.57) CYP1A2HPGDMAPTALDH1A1LMNA
SCHEMBL5734246 0.86 MAPT (0.57) CYP1A2HPGDMAPTALDH1A1LMNA
SCHEMBL6180073 0.83 MAPK1 (0.43) MAPK1MAPTALDH1A1LMNAMEN1
SCHEMBL5736262 0.82 HSP90AA1 (0.44) MAPK1CYP1A2MAPTALDH1A1CTSB
SCHEMBL6180186 0.77 RAD52 (0.48) MAPK1MAPTALDH1A1LMNACTSB
SCHEMBL12192902 0.76 CASP6 (0.57) MAPTALDH1A1CTSBMEN1KMT2A
SCHEMBL11368399 0.74 CTSB (0.49) MAPK1MAPTALDH1A1LMNACTSB
SCHEMBL30065162 0.74 CTSB (0.50) HPGDMAPTALDH1A1LMNAATM
SCHEMBL4855639 0.73 LMNA (0.58) MAPK1CYP1A2HPGDMAPTALDH1A1

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 MAPK1 3379/4885CYP1A2 4126/4885HPGD 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.