SCHEMBL533107

SCHEMBL533107

CCc1csc(-c2cc[c]cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 4/20 0.42
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
SREBF1 P36956 1/20 0.39
SREBF2 Q12772 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.37
HTT P42858 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
SCHEMBL533238 0.86 RAB9A (0.47) RAB9ANPC1POLBGAAGFER
SCHEMBL2105505 0.82 GFER (0.45) RAB9ANPC1POLBGAAGFER
SCHEMBL153338 0.81 HPGD (0.60) RAB9ANPC1POLBGAAKDM4E
SCHEMBL6760692 0.81 RAB9A (0.56) RAB9ANPC1POLBGAAGFER
SCHEMBL17626149 0.81 RAB9A (0.45) RAB9ANPC1POLBGAAGFER
SCHEMBL17130336 0.80 RAB9A (0.58) RAB9ANPC1POLBGAAGFER
Hydrochloric Acid SCHEMBL17261462 0.80 HPGD (0.59) RAB9ANPC1POLBGAAKDM4E
SCHEMBL2056124 0.79 GFER (0.72) RAB9ANPC1POLBGAAGFER
SCHEMBL27306341 0.79 RAB9A (0.57) RAB9ANPC1POLBGAAGFER
SCHEMBL2225013 0.79 LMNA (0.62) RAB9ANPC1POLBGAAGFER

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 RAB9A 2549/4885NPC1 3585/4885POLB 3280/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RAB9A 2112/4885NPC1 3814/4885POLB 3560/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 RAB9A 1700/4885NPC1 1105/4885POLB 2959/4885

“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.