SCHEMBL533465

SCHEMBL533465

ON=Cc1occ2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 6/20 0.40
KDM4E B2RXH2 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.37
GFER P55789 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PSMD14 O00487 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL8959953 0.74 ALDH1A1 (0.35) ALDH1A1HPGDMEN1KMT2APOLB
SCHEMBL98430 0.74 PTPN1 (0.42) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL27626197 0.72 PTPN1 (0.41) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL26675158 0.71 MAPT (0.34) ALDH1A1MAPTHPGDKDM4EL3MBTL1
SCHEMBL7618050 0.69 HCAR2 (0.46) LMNAHPGDKDM4EL3MBTL1RAB9A
SCHEMBL31115085 0.67 ENPP3 (0.30)
SCHEMBL31115086 0.67 ENPP3 (0.30)
SCHEMBL27773572 0.66 MAPT (0.79) ALDH1A1MAPTLMNAHPGDKDM4E
SCHEMBL276957 0.66 CYP1A2 (0.42) ALDH1A1MAPTKDM4EPOLBTDP1
SCHEMBL7898857 0.65 GRIN2D (0.59) ALDH1A1MAPTLMNAHPGDKDM4E

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 7 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
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
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 ALDH1A1 204/4885MAPT 4180/4885LMNA 2331/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 256/4885MAPT 4449/4885LMNA 2721/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALDH1A1 377/4885MAPT 3554/4885LMNA 807/4885

“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.