SCHEMBL6178274

SCHEMBL6178274

CCN(CC)c1ccc(-c2nc3ccc(C(=O)OC)cc3[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.67
SIRT1 Q96EB6 4/20 0.67
MMP2 P08253 1/20 0.64
MMP9 P14780 1/20 0.64
MMP8 P22894 1/20 0.64
MMP13 P45452 1/20 0.64
SIRT3 Q9NTG7 1/20 0.60
KDM4E B2RXH2 1/20 0.59
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RHEB Q15382 1/20 0.59
HDAC6 Q9UBN7 2/20 0.58

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
SCHEMBL6178276 0.91 KDM4E (0.59) SIRT2SIRT1MMP2MMP9MMP8
SCHEMBL20982471 0.89 MMP2 (0.78) SIRT2SIRT1MMP2MMP9MMP8
SCHEMBL6179777 0.87 NR4A2 (0.67) SIRT2SIRT1MMP2MMP9MMP8
SCHEMBL18229559 0.86 HDAC6 (0.75) HDAC6HDAC3HDAC1HDAC8
SCHEMBL14090303 0.85 F2 (0.70) SIRT2SIRT1MMP2MMP9MMP8
SCHEMBL19763371 0.84 CHEK2 (0.72) SIRT2SIRT1MMP2MMP9MMP8
SCHEMBL19747752 0.83 MMP2 (0.70) SIRT2SIRT1MMP2MMP9MMP8
SCHEMBL2617479 0.83 KDM4E (0.71) MMP2MMP9MMP8MMP13KDM4E
Hydrochloric Acid SCHEMBL19739317 0.82 MMP2 (0.68) SIRT2SIRT1MMP2MMP9MMP8
SCHEMBL18229579 0.82 MMP2 (0.61) SIRT2SIRT1MMP2MMP9MMP8

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 SIRT2 3954/4885SIRT1 4391/4885MMP2 1224/4885

“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.