SCHEMBL533371

SCHEMBL533371

ClC(Cl)(Cl)Cc1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 11/20 0.39
MAPT P10636 8/20 0.39
MEN1 O00255 7/20 0.39
KMT2A Q03164 6/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 4/20 0.38
RAB9A P51151 8/20 0.37
NPC1 O15118 6/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CD74 P04233 1/20 0.37
MIF P14174 1/20 0.37
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
OPRK1 P41145 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL533594 0.84 LOXL2 (0.41) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL533358 0.78 LOXL2 (0.44) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL533154 0.75 LOXL2 (0.49) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL534315 0.75 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL534232 0.72 CYP19A1 (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL533569 0.71 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL533398 0.71 GFER (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL1029102 0.70 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL533699 0.70 RAB9A (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL533381 0.68 GAA (0.61) ALDH1A1MAPTGAARAB9ANPC1

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 8 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-102448940-B For the medical composition of glaucomatous treatment or prevention UBE INDUSTRIES, LTD. (JP) 2015-10-21 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
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 LOXL2 395/4885TAAR1 129/4885ALDH1A1 204/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 LOXL2 390/4885TAAR1 120/4885ALDH1A1 256/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 LOXL2 2018/4885TAAR1 904/4885ALDH1A1 377/4885

“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.