SCHEMBL4134670

SCHEMBL4134670

O=C(Cl)c1cc(-c2ccc(Cl)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.54
RAB9A P51151 9/20 0.53
NPC1 O15118 7/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
CYP1A2 P05177 2/20 0.53
MAPT P10636 2/20 0.53
CYP2C19 P33261 2/20 0.53
POLB P06746 2/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
JAK2 O60674 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PTPN1 P18031 2/20 0.46
USP30 Q70CQ3 1/20 0.45
SMPD1 P17405 1/20 0.44
MEN1 O00255 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 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
SCHEMBL3611504 0.86 PTPN1 (0.57) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL6822320 0.85 PTPN1 (0.56) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL1574756 0.85 SMN1; SMN2 (0.59) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL17883944 0.85 MEN1 (0.56) RAB9ANPC1SMN1; SMN2CYP1A2MAPT
SCHEMBL3987343 0.85 RAB9A (0.55) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL8878902 0.85 MAPT (0.49) RAB9ANPC1SMN1; SMN2CYP1A2MAPT
SCHEMBL3045808 0.84 RAB9A (0.64) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL27317631 0.82 NOTUM (0.46) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL19017750 0.81 POLB (0.53) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL2097094 0.81 NOTUM (0.53) NOTUMRAB9ANPC1SMN1; SMN2CYP1A2

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 13 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
CN-101018770-A PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2007-08-15 CN 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
CN-1720047-A PgD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARM INC (US) 2006-01-11 CN 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
WO-2004046122-A2 BENZOXAZOLE, BENZTHIAZOLE AND BENZIMIDAZOLE ACID DERIVATIVES AND THEIR USE AS HEPARANASE INHIBITORS OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-06-03 WO 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 NOTUM 2837/4885RAB9A 2883/4885NPC1 2683/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 NOTUM 2783/4885RAB9A 2765/4885NPC1 2856/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 NOTUM 2837/4885RAB9A 2883/4885NPC1 2683/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 NOTUM 2678/4885RAB9A 3346/4885NPC1 3162/4885

“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.