SCHEMBL1594616

SCHEMBL1594616

O=C(CCC1CCCCCC1)Nc1cn(CCO)c2cccc(Br)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 8/20 0.48
TDP1 Q9NUW8 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
P2RX7 Q99572 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1595305 1.00 KDM4E (0.49) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1594821 0.92 KDM4E (0.51) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1595483 0.92 KDM4E (0.51) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL178070 0.90 RAB9A (0.46) KDM4ETDP1MEN1KMT2ANPC1
SCHEMBL177757 0.90 RAB9A (0.46) KDM4ETDP1MEN1KMT2ANPC1
SCHEMBL14127556 0.89 KDM4E (0.47) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1595582 0.88 ALDH1A1 (0.48) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1594760 0.88 ALDH1A1 (0.48) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1596550 0.86 ALDH1A1 (0.51) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL1594387 0.86 ALDH1A1 (0.51) KDM4EALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
EP-2243772-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-01-18 EP disclosed
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2011-09-01 US disclosed
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2011-09-01 US disclosed
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2011-09-01 US disclosed
US-7919503-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
US-7919503-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
US-7919503-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-04-05 US disclosed
EP-2243772-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2010-10-27 EP disclosed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US disclosed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US disclosed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 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-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 KDM4E 3713/4885ALDH1A1 1830/4885TDP1 1969/4885
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 KDM4E 3713/4885ALDH1A1 1830/4885TDP1 1969/4885

“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.