SCHEMBL3537683

SCHEMBL3537683

CCOc1cc(SCC)ccc1C(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TSHR P16473 4/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RORC P51449 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 1/20 0.38
CREBBP Q92793 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL11773775 0.86 TSHR (0.51) KDM4ETSHRCYP3A4TDP1HSD17B10
SCHEMBL3993311 0.81 KDM4E (0.49) KDM4ETSHRCYP3A4TDP1NPC1
SCHEMBL27923255 0.79 KDM4E (0.68) KDM4ETSHRCYP3A4TDP1HSD17B10
SCHEMBL7345060 0.76 KDM4E (0.51) KDM4ETSHRCYP3A4TDP1HSD17B10
SCHEMBL11252289 0.76 KDM4E (0.55) KDM4ETSHRCYP3A4TDP1HSD17B10
SCHEMBL10853358 0.75 HPGD (0.49) KDM4ECYP3A4HSD17B10NPC1RAB9A
SCHEMBL11769528 0.75 TSHR (0.49) KDM4ETSHRCYP3A4TDP1HSD17B10
SCHEMBL3385153 0.74 TSHR (0.50) TSHRNPC1RAB9AUSP2SMN1; SMN2
SCHEMBL4729840 0.74 KDM4E (0.57) KDM4ETSHRCYP3A4HSD17B10MAPT
SCHEMBL1546640 0.74 CYP2C19 (0.46) KDM4ETSHRCYP3A4TDP1HSD17B10

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
US-7851626-B2 4,4,5,5, tetrasubstituted imidazolines HOFFMANN-LA ROCHE INC. (US) 2010-12-14 US disclosed
US-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines DING QINGJIE 2007-06-07 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-20070129416-A1 4,4,5,5, Tetrasubstituted imidazolines RPS4X, RPS4Y1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 387/4885TSHR 761/4885CYP3A4 12/4885

“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.