SCHEMBL533361

SCHEMBL533361

CCOc1csc(-c2cc[c]cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.48
RAB9A P51151 6/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
CDC25A P30304 3/20 0.42
CDC25B P30305 3/20 0.42
CDC25C P30307 3/20 0.42
DUSP3 P51452 3/20 0.42
FFAR4 Q5NUL3 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
ATP4A P20648 2/20 0.34

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
SCHEMBL534343 0.88 RAB9A (0.46) CYP19A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL10956887 0.83 CYP19A1 (0.65) CYP19A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL533548 0.81 CYP19A1 (0.43) CYP19A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL533675 0.77 PPARD (0.32) CYP19A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL533254 0.77 CYP19A1 (0.32) CYP19A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL533107 0.75 RAB9A (0.53) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL533597 0.74 IRAK4 (0.31) KDM4E
SCHEMBL533541 0.74 SHMT2 (0.36) KDM4E
SCHEMBL533679 0.74 GFER (0.32) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL533357 0.74 GFER (0.32) RAB9ANPC1KDM4ESMN1; SMN2MAPT

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 CYP19A1 1523/4885RAB9A 2549/4885NPC1 3585/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP19A1 1517/4885RAB9A 2112/4885NPC1 3814/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP19A1 433/4885RAB9A 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.