SCHEMBL6178276

SCHEMBL6178276

CCN(CC)c1ccc(-c2nc3cc(C(=O)OC)ccc3[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
SIRT2 Q8IXJ6 4/20 0.55
SIRT1 Q96EB6 3/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
SIRT3 Q9NTG7 1/20 0.49
HDAC6 Q9UBN7 3/20 0.47

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
SCHEMBL6178274 0.91 SIRT2 (0.67) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL29906102 0.88 KDM4E (0.75) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL25318263 0.88 KDM4E (0.75) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL6179782 0.87 KDM4E (0.53) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL3222740 0.83 KDM4E (0.71) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL20982713 0.82 KDM4E (0.75) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL1170648 0.82 KDM4E (0.61) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL14381943 0.82 KDM4E (0.70) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL4245435 0.82 ATM (0.65) KDM4ENPC1ALDH1A1LMNAPKM
SCHEMBL9130717 0.81 ALDH1A1 (0.62) KDM4ENPC1ALDH1A1LMNAPKM

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 KDM4E 1215/4885NPC1 2541/4885ALDH1A1 3356/4885

“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.