SCHEMBL533670

SCHEMBL533670

O=S(=O)=NCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH1 P35367 1/20 0.44
MAPT P10636 1/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 1/20 0.42
KDM4E B2RXH2 1/20 0.41
FDPS P14324 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPRA P18433 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1043027 0.78 HRH1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1HRH1MAPT
SCHEMBL1166481 0.77
SCHEMBL21985094 0.76 HRH1 (0.52) SMN1; SMN2ALDH1A1L3MBTL1HRH1MAPT
Ammonia Solution, Strong SCHEMBL6808558 0.75 HRH1 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL1140168 0.72
SCHEMBL11787969 0.72
SCHEMBL15999400 0.72
SCHEMBL31613157 0.72
SCHEMBL26555048 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL3132125 0.69 HRH3 (0.46) SMN1; SMN2ALDH1A1HRH1MAPTLIN28A

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 7 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
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 SMN1; SMN2 3764/4885ALDH1A1 204/4885NPC1 3585/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 SMN1; SMN2 4030/4885ALDH1A1 256/4885NPC1 3814/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 SMN1; SMN2 4735/4885ALDH1A1 377/4885NPC1 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.