SCHEMBL534216

SCHEMBL534216

Fc1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
RAB9A P51151 6/20 0.44
ALOX5 P09917 1/20 0.44
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 3/20 0.40
AR P10275 2/20 0.40
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
MAPT P10636 6/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LTA4H P09960 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL533699 0.78 RAB9A (0.44) ALDH1A1RAB9AALOX5CYP3A4KDM4E
SCHEMBL1029102 0.78 ALDH1A1 (0.66) ALDH1A1RAB9AALOX5CYP3A4KDM4E
SCHEMBL534232 0.76 CYP19A1 (0.41) ALDH1A1RAB9AALOX5CYP3A4KDM4E
SCHEMBL533381 0.76 GAA (0.61) ALDH1A1RAB9AKDM4EMAPTHTT
SCHEMBL533498 0.76 IDH1 (0.41) ALDH1A1RAB9AALOX5CYP3A4KDM4E
SCHEMBL533522 0.76 ALDH1A1 (0.37) ALDH1A1RAB9AALOX5CYP3A4KDM4E
SCHEMBL533127 0.72 ALOX5 (0.39) ALDH1A1RAB9AALOX5CYP3A4KDM4E
SCHEMBL533594 0.72 LOXL2 (0.41) ALDH1A1RAB9AKDM4EMAPTLMNA
SCHEMBL533303 0.72 ALDH1A1 (0.34) ALDH1A1RAB9AALOX5CYP3A4KDM4E
SCHEMBL714474 0.72 KDM4E (0.69) ALDH1A1RAB9ACYP3A4KDM4EAR

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
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US claimed
EP-2415763-A1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA Ube Industries, Ltd. (JP) 2012-02-08 EP claimed
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE CORPORATION (JP) 2011-03-03 US claimed
EP-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP claimed
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 204/4885RAB9A 2549/4885ALOX5 134/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 ALDH1A1 256/4885RAB9A 2112/4885ALOX5 157/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 ALDH1A1 377/4885RAB9A 1700/4885ALOX5 83/4885

“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.