SCHEMBL533699

SCHEMBL533699

Brc1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 7/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
LTA4H P09960 2/20 0.40
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ALOX5 P09917 1/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1029102 0.79 ALDH1A1 (0.66) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3174725 0.78 RAB9A (0.68) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL2225468 0.78 ALDH1A1 (0.63) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL534232 0.78 CYP19A1 (0.41) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL533381 0.78 GAA (0.61) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL534216 0.78 ALDH1A1 (0.44) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3823252 0.75 RAB9A (0.58) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3761118 0.75 RAB9A (0.66) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1774137 0.75 RAB9A (0.58) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL533498 0.73 IDH1 (0.41) RAB9AALDH1A1KMT2AMEN1NPSR1

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 10 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-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 RAB9A 2549/4885MAPT 4180/4885SMN1; SMN2 3764/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RAB9A 2112/4885MAPT 4449/4885SMN1; SMN2 4030/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 RAB9A 1700/4885MAPT 3554/4885SMN1; SMN2 4735/4885

“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.