SCHEMBL178018

SCHEMBL178018

O=C(CCC1CCCCC1)Nc1cn(C(CO)CO)c2cccc(Br)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL177952 1.00 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL7897361 0.93 ALDH1A1 (0.45) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL177807 0.90 EPHX2 (0.45) NPC1MEN1KMT2ARAB9ATDP1
SCHEMBL178135 0.90 EPHX2 (0.45) NPC1MEN1KMT2ARAB9ATDP1
SCHEMBL178131 0.88 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL10108724 0.88 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL177903 0.88 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL1595483 0.85 KDM4E (0.51) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL1594821 0.85 KDM4E (0.51) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL1594387 0.83 ALDH1A1 (0.51) ALDH1A1NPC1MEN1KMT2ARAB9A

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 26 patents — showing the first 20. 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 claimed
EP-2243772-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-01-18 EP claimed
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2011-09-01 US claimed
US-7919503-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2011-04-05 US claimed
EP-2243772-A1 Novel P2X7R antagonists and their use Affectis Pharmaceuticals AG (DE) 2010-10-27 EP claimed
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 US claimed
EP-2569281-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS Affectis Pharmaceuticals AG (DE) 2013-03-20 EP disclosed
US-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS AFFECTIS PHARMACEUTICALS AG (DE) 2013-03-07 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
US-8268861-B2 P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-09-18 US disclosed
CN-102395562-A Novel P2X7R antagonists and uses thereof AFFECTIS PHARMACEUTICALS AG 2012-03-28 CN disclosed
EP-2243772-B1 Novel P2X7R antagonists and their use AFFECTIS PHARMACEUTICALS AG (DE) 2012-01-18 EP 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
WO-2010118921-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE AFFECTIS PHARMACEUTICALS AG (DE) 2010-10-21 WO 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 (3 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-20130060047-A1 NOVEL METHODS FOR THE PREPARATION OF P2X7R ANTAGONISTS P2RX7, P2RX3, P2RX2 ALDH1A1 3499/4885NPC1 2234/4885MEN1 4517/4885
US-20110212992-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 ALDH1A1 1830/4885NPC1 1162/4885MEN1 4512/4885
US-20100267762-A1 NOVEL P2X7R ANTAGONISTS AND THEIR USE P2RX3, P2RX2, P2RX1 ALDH1A1 1830/4885NPC1 1162/4885MEN1 4512/4885

“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.