SCHEMBL4121736

SCHEMBL4121736

CCc1ccc(C(=O)Cl)cn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCAR3 P49019 6/20 0.40
PKM P14618 1/20 0.39
DGAT1 O75907 2/20 0.39
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P4HA1 P13674 1/20 0.35
P4HTM Q9NXG6 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
SCHEMBL14023317 0.84 KCNJ1 (0.45) RAB9AMAPTL3MBTL1HCAR3LMNA
SCHEMBL27981651 0.84 HCAR3 (0.42) RAB9AMAPTHCAR3ALDH1A1LMNA
SCHEMBL344135 0.82 MAPT (0.58) NAPRTRAB9AMAPTHCAR3ALDH1A1
SCHEMBL8358807 0.82 NAPRT (0.42) NAPRTRAB9AMAPTL3MBTL1HCAR3
Hydrochloric Acid SCHEMBL2772493 0.81 NAPRT (0.41) NAPRTRAB9AMAPTL3MBTL1HCAR3
SCHEMBL5293898 0.81 NNMT (0.55) L3MBTL1SMN1; SMN2
SCHEMBL10066762 0.81 MAPT (0.44) RAB9AMAPTL3MBTL1HCAR3ALDH1A1
Hydrochloric Acid SCHEMBL27647127 0.81 MAPT (0.56) NAPRTRAB9AMAPTHCAR3ALDH1A1
SCHEMBL24198801 0.78 HCAR3 (0.38) RAB9AMAPTL3MBTL1HCAR3ALDH1A1
SCHEMBL1441132 0.78 MAPK1 (0.61) RAB9AMAPTL3MBTL1ALDH1A1MEN1

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 6 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
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP 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

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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 NAPRT 1973/4885RAB9A 2883/4885MAPT 4208/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 NAPRT 1973/4885RAB9A 2883/4885MAPT 4208/4885

“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.