SCHEMBL533757

SCHEMBL533757

O=S(=O)(NCc1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NAMPT P43490 3/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 2/20 0.52
IDO1 P14902 1/20 0.52
KEAP1 Q14145 1/20 0.51
MAPT P10636 2/20 0.51
PAX8 Q06710 1/20 0.50

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
SCHEMBL1581598 0.87 CYP2C19 (0.67) LMNASMN1; SMN2NAMPTCYP19A1CYP2C19
SCHEMBL18725052 0.86 KEAP1 (0.71) LMNASMN1; SMN2NAMPTCYP2C19IDO1
SCHEMBL750261 0.85 MEN1 (0.58) LMNASMN1; SMN2NAMPTCYP19A1CYP2C19
SCHEMBL15651151 0.85 CA12 (0.59) LMNASMN1; SMN2NAMPTCYP19A1CYP2C19
SCHEMBL27803023 0.84 NAMPT (0.56) LMNASMN1; SMN2NAMPTCYP19A1CYP2C19
SCHEMBL534569 0.84 LMNA (0.63) LMNASMN1; SMN2NAMPTCYP2C19IDO1
SCHEMBL5960098 0.82 KEAP1 (0.76) LMNASMN1; SMN2CYP19A1ALDH1A1KEAP1
SCHEMBL28413113 0.81 NAMPT (0.64) LMNASMN1; SMN2NAMPTCYP19A1ALDH1A1
SCHEMBL6276329 0.81 NAMPT (0.68) LMNASMN1; SMN2NAMPTCYP2C19ALDH1A1
SCHEMBL997939 0.80 NAMPT (0.82) NAMPTALDH1A1

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 LMNA 2331/4885SMN1; SMN2 3764/4885NAMPT 2339/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 LMNA 2721/4885SMN1; SMN2 4030/4885NAMPT 2422/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 LMNA 807/4885SMN1; SMN2 4735/4885NAMPT 3499/4885

“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.