SCHEMBL533379

SCHEMBL533379

O=S(=O)(NCc1ccc(-c2ccccc2)nn1)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NAMPT P43490 1/20 0.44
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42
CYP2C19 P33261 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KEAP1 Q14145 1/20 0.41
ESR1 P03372 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL534569 0.77 LMNA (0.63) SMN1; SMN2LMNANAMPTIDO1CYP2C19
SCHEMBL18725052 0.76 KEAP1 (0.71) MAPTSMN1; SMN2LMNANAMPTIDO1
SCHEMBL3458739 0.75 SLC1A3 (0.37) MAPTSMN1; SMN2GAANPC1RAB9A
SCHEMBL1876581 0.72 IDO1 (0.70) MAPTSMN1; SMN2LMNANAMPTIDO1
SCHEMBL3458740 0.71 PTGER2 (0.53)
SCHEMBL10217402 0.71 CYP11B1 (0.63) MAPTSMN1; SMN2KDM4EGAANPC1
SCHEMBL21960091 0.70 NAPRT (0.57) MAPTSMN1; SMN2LMNAIDO1KDM4E
SCHEMBL3458743 0.70 PTGER2 (0.52)
SCHEMBL17472710 0.69 MAPT (0.57) MAPTSMN1; SMN2LMNANAMPTIDO1
SCHEMBL30948178 0.68 MAPT (0.49) MAPTSMN1; SMN2LMNAKDM4EGAA

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 MAPT 4180/4885SMN1; SMN2 3764/4885LMNA 2331/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 MAPT 4449/4885SMN1; SMN2 4030/4885LMNA 2721/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 MAPT 3554/4885SMN1; SMN2 4735/4885LMNA 807/4885

“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.