SCHEMBL4137306

SCHEMBL4137306

O=C(Cl)Cl.c1ccc(Cc2ccon2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 2/20 0.40
TP53 P04637 1/20 0.39
PLA2G10 O15496 1/20 0.37
PLA2G2A P14555 1/20 0.37
LMNA P02545 1/20 0.37
CALM1 P0DP23 1/20 0.37
KDM5A P29375 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL88635 0.89 ALDH1A1 (0.47) ALDH1A1NPC1PKMSMN1; SMN2RAB9A
SCHEMBL23668208 0.82 ALDH1A1 (0.37) ALDH1A1NPC1PKMSMN1; SMN2RAB9A
SCHEMBL23668209 0.78 ALDH1A1 (0.36) ALDH1A1NPC1PKMSMN1; SMN2RAB9A
SCHEMBL29349003 0.74 ESR1 (0.50) ALDH1A1L3MBTL1
SCHEMBL28445159 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2RAB9ATDP1L3MBTL1
SCHEMBL11811765 0.72 ENPP2 (0.44) PKMLMNACALM1
SCHEMBL27801908 0.72 KCNH2 (0.52) ALDH1A1NPC1PKMSMN1; SMN2RAB9A
SCHEMBL27688176 0.71 KCNH2 (0.43) ALDH1A1NPC1PKMRAB9AL3MBTL1
SCHEMBL27969582 0.71 ALDH1A1 (0.60) ALDH1A1NPC1SMN1; SMN2RAB9ATDP1
SCHEMBL7200350 0.68 NPC1 (0.48) NPC1PKMCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 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 (4 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885NPC1 2683/4885PKM 4094/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 2039/4885NPC1 2856/4885PKM 4011/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 ALDH1A1 1599/4885NPC1 2683/4885PKM 4094/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 ALDH1A1 1663/4885NPC1 3162/4885PKM 4175/4885

“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.