SCHEMBL533448

SCHEMBL533448

Clc1cnn(-c2cc[c]cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
GAA P10253 1/20 0.37
GRM4 Q14833 3/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
HPGDS O60760 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
DRD4 P21917 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTR2C P28335 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP46A1 Q9Y6A2 1/20 0.32

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
SCHEMBL694374 0.84 MAP4K4 (0.58) MAP4K4GRM4NPC1MAPTNFKB1
SCHEMBL27834563 0.81 MAP4K4 (0.54) MAP4K4GAAGRM4NPC1MAPT
SCHEMBL9804024 0.79 GAA (0.59) GAAGRM4NPC1MAPTNFKB1
SCHEMBL533508 0.76 TDO2 (0.40) GAAGRM4NPC1RAB9AHPGDS
SCHEMBL6274846 0.76 MAP4K4 (0.43) MAP4K4GAAGRM4NPC1MAPT
SCHEMBL27649794 0.76 GAA (0.37) GAAGRM4NPC1RAB9AHPGDS
SCHEMBL12988179 0.76 DRD4 (0.51) MAP4K4GAANPC1MAPTNFKB1
SCHEMBL5658498 0.76 TDO2 (0.41) GAAGRM4NPC1MAPTRAB9A
SCHEMBL6275209 0.76 RAB9A (0.44) MAP4K4GRM4NPC1MAPTNFKB1
SCHEMBL24857473 0.72 NOTUM (0.44) MAP4K4GRM4NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
CN-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 CN disclosed
CN-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 CN disclosed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8648097-B2 Pyridylaminoacetic acid compound UBE INDUSTRIES, LTD. (JP) 2014-02-11 US disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
CN-102448940-A Pharmaceutical composition for treating or preventing glaucoma UBE INDUSTRIES 2012-05-09 CN disclosed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US disclosed
CN-101970410-A Pyridylaminoacetic acid compounds UBE INDUSTRIES 2011-02-09 CN disclosed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP 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-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MAP4K4 667/4885GAA 2639/4885GRM4 1478/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MAP4K4 626/4885GAA 2602/4885GRM4 1454/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 MAP4K4 3788/4885GAA 1887/4885GRM4 3061/4885

“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.