SCHEMBL6180430

SCHEMBL6180430

Nc1cc(NC(=O)OCc2ccccc2)ccc1CCCl

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TSHR P16473 1/20 0.55
RAB9A P51151 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MGLL Q99685 2/20 0.54
POLB P06746 1/20 0.50
ENPP2 Q13822 3/20 0.49
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
ROCK2 O75116 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48

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
SCHEMBL27797572 0.86 TP53 (0.53) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL6183972 0.82 ALDH1A1 (0.52) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL13529198 0.80 MGLL (0.59) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL12325529 0.80 MGLL (0.59) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL3796516 0.79 MGLL (0.65) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL3787405 0.79 MGLL (0.58) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL27543872 0.78 MGLL (0.59) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL11694836 0.78 TP53 (0.57) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL7401754 0.77 MAPT (0.45) TP53MAPTNPC1ALDH1A1TSHR
SCHEMBL7401757 0.77 MAPT (0.45) TP53MAPTNPC1ALDH1A1TSHR

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 2 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-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 TP53 471/4885MAPT 4757/4885NPC1 2541/4885

“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.