SCHEMBL1706149

SCHEMBL1706149

O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.47
KIF11 P52732 13/20 0.43
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL13555698 0.87 LMNA (0.40) KIF11ALDH1A1LMNAHTT
SCHEMBL13555795 0.87 SIRT2 (0.46) SIRT2KIF11HPGD
SCHEMBL22470281 0.86 RAB9A (0.49) KIF11NPC1RAB9AALDH1A1LMNA
SCHEMBL17245967 0.86 KIF11 (0.43) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL974918 0.82 SIRT2 (0.49) SIRT2KIF11HPGDNPC1RAB9A
Ammonia Solution, Strong SCHEMBL7894551 0.81 SIRT2 (0.48) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL1906153 0.81 SIRT2 (0.63) SIRT2KIF11
SCHEMBL8349509 0.81 KIF11 (0.50) KIF11
SCHEMBL11885305 0.79 KIF11 (0.45) SIRT2KIF11HPGDNPC1RAB9A
SCHEMBL1389497 0.79 KIF11 (0.47) SIRT2KIF11HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8747810-B2 Compositions and methods for imaging tissues, organs and tumors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-10 US disclosed
US-8747810-B2 Compositions and methods for imaging tissues, organs and tumors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-10 US disclosed
US-20120269724-A1 COMPOSITIONS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-10-25 US disclosed
US-20120269724-A1 COMPOSITIONS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-10-25 US disclosed
EP-2440584-A1 COMPOSITIONS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS President and Fellows of Harvard College (US) 2012-04-18 EP disclosed
WO-2010144891-A1 COMPOSITIONS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-16 WO disclosed
WO-2010144891-A1 COMPOSITIONS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-16 WO 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-20120269724-A1 COMPOSITIONS AND METHODS FOR IMAGING TISSUES, ORGANS AND TUMORS SSTR3, TACR1, SSTR5 SIRT2 4272/4885KIF11 4726/4885HPGD 3755/4885

“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.