SCHEMBL8414545

SCHEMBL8414545

c1ccn2cc(C3CCCC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 4/20 0.46
GFER P55789 2/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PKM P14618 2/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL16739999 0.93 KDM4E (0.49) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL7543409 0.85 KDM4E (0.43) KDM4EHSD17B10TSHRALDH1A1MEN1
Hydrochloric Acid SCHEMBL29404628 0.83 KDM4E (0.42) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL29427164 0.79 KDM4E (0.45) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL17254580 0.78 PDE10A (0.59) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL8222260 0.76 KDM4E (0.43) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL7544084 0.76 RBP4 (0.54) KDM4EMEN1KMT2AHPGDPTGS1
SCHEMBL31731985 0.74 RAB9A (0.67) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL17254602 0.74 PDE10A (0.52) KDM4EHSD17B10TSHRALDH1A1MEN1
SCHEMBL21835448 0.74 MIF (0.45) KDM4EALDH1A1RAB9ANPC1POLB

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
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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 (2 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 KDM4E 4340/4885HSD17B10 581/4885TSHR 4043/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF KDM4E 4317/4885HSD17B10 622/4885TSHR 3764/4885

“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.