SCHEMBL5735284

SCHEMBL5735284

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
CYP1A2 P05177 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 6/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.41
ALOX12 P18054 1/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 3/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 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
SCHEMBL6180221 0.84 RAB9A (0.47) SMN1; SMN2ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL21059235 0.78 KMT2A (0.61) SMN1; SMN2CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL6244773 0.77 RAB9A (0.46) SMN1; SMN2ALDH1A1TDP1LMNANPSR1
SCHEMBL21059249 0.75 KMT2A (0.60) SMN1; SMN2CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL30485017 0.74 PKM (0.57) SMN1; SMN2CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL6183967 0.74 RAD52 (0.41) SMN1; SMN2ALDH1A1LMNANPSR1MAPT
SCHEMBL21059226 0.74 KMT2A (0.58) SMN1; SMN2CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL7799197 0.73 ALDH1A1 (0.57) SMN1; SMN2CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL7790395 0.73 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP2C19ALDH1A1TDP1
SCHEMBL16654381 0.72 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP claimed
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 claimed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US claimed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP claimed
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 claimed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO claimed
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 SMN1; SMN2 4149/4885CYP1A2 4126/4885CYP2C19 4316/4885

“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.