SCHEMBL533671

SCHEMBL533671

[c]1ccc(C2=NCCCN2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.69
GAA P10253 1/20 0.69
TSHR P16473 1/20 0.69
TOP2A P11388 5/20 0.61
TOP2B Q02880 5/20 0.61
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
HTR1D P28221 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL533283 0.88 NISCH (0.67) NISCHGAATSHRTOP2ATOP2B
SCHEMBL13327264 0.87 NISCH (0.81) NISCHGAATSHRTOP2ATOP2B
SCHEMBL6365864 0.82 NISCH (1.00) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4035056 0.78 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL2513540 0.78 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL4035055 0.78 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL31249900 0.78 NISCH (0.68) NISCHGAATSHRTOP2ATOP2B
SCHEMBL11462790 0.78 NISCH (1.00) NISCHGAATSHRTOP2ATOP2B
Hydrochloric Acid SCHEMBL9828172 0.77 NISCH (0.66) NISCHGAATSHRTOP2ATOP2B
SCHEMBL14029044 0.76 NISCH (0.75) NISCHGAATSHRTOP2ATOP2B

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 NISCH 3757/4885GAA 2639/4885TSHR 987/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NISCH 3810/4885GAA 2602/4885TSHR 831/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 NISCH 2609/4885GAA 1887/4885TSHR 1525/4885

“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.