SCHEMBL534074

SCHEMBL534074

ClC(Cl)c1csc(-c2cc[c]cc2)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.34
KDM4E B2RXH2 6/20 0.33
RAB9A P51151 5/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
AR P10275 2/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SREBF2 Q12772 1/20 0.30

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
SCHEMBL533438 0.82 IDH1 (0.36) GFERKDM4ERAB9ALMNASMN1; SMN2
SCHEMBL533297 0.82 CTSK (0.39) GFERKDM4ERAB9ASMN1; SMN2CTSK
SCHEMBL533149 0.76 GFER (0.41) GFERKDM4ERAB9ALMNASMN1; SMN2
SCHEMBL533679 0.75 GFER (0.32) GFERKDM4ERAB9ALMNASMN1; SMN2
SCHEMBL533221 0.72 CYP3A4 (0.51) KDM4ERAB9ALMNASMN1; SMN2NPC1
SCHEMBL533223 0.72 KDM4E (0.40) GFERKDM4ERAB9ALMNASMN1; SMN2
SCHEMBL2155406 0.72 CYP19A1 (0.40) GFERKDM4ERAB9ALMNASMN1; SMN2
SCHEMBL534371 0.71 KDM4E (0.35) GFERKDM4ERAB9ALMNASMN1; SMN2
SCHEMBL533398 0.68 GFER (0.45) GFERKDM4ERAB9ALMNASMN1; SMN2
SCHEMBL533675 0.68 PPARD (0.32) KDM4ERAB9ASMN1; SMN2NPC1POLB

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 11 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
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 GFER 1571/4885KDM4E 2779/4885RAB9A 2549/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 GFER 1295/4885KDM4E 2804/4885RAB9A 2112/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 GFER 607/4885KDM4E 3706/4885RAB9A 1700/4885

“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.