SCHEMBL533701

SCHEMBL533701

COc1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 4/20 0.39
CYP19A1 P11511 1/20 0.39
LTA4H P09960 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
ALOX5 P09917 2/20 0.37
NFKB1 P19838 2/20 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
SCHEMBL6017146 0.81 ALDH1A1 (0.55) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL532989 0.81 RAB9A (0.35) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL533598 0.81 RAB9A (0.35) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL534215 0.81 ALOX5 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL17754089 0.80 PTGS2 (0.54) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL533529 0.79 MAPT (0.46) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL533127 0.78 ALOX5 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL533569 0.78 ALDH1A1 (0.34) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL533347 0.78 ALDH1A1 (0.34) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL533303 0.78 ALDH1A1 (0.34) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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-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 MAPT 4180/4885RAB9A 2549/4885NPC1 3585/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MAPT 4449/4885RAB9A 2112/4885NPC1 3814/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 MAPT 3554/4885RAB9A 1700/4885NPC1 1105/4885

“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.