SCHEMBL533154

SCHEMBL533154

CCCc1nc(-c2cc[c]cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.49
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SREBF2 Q12772 6/20 0.40
HTR3A P46098 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL533358 0.86 LOXL2 (0.44) LOXL2TAAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL15087597 0.83 LOXL2 (0.70) LOXL2TAAR1ALDH1A1RAB9ASREBF2
SCHEMBL12844542 0.80 HPGD (0.58) LOXL2TAAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL13064219 0.80 RAB9A (0.60) LOXL2TAAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL533594 0.75 LOXL2 (0.41) LOXL2TAAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL533371 0.75 LOXL2 (0.41) LOXL2TAAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL18015829 0.73 SREBF2 (0.44) LOXL2TAAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL12351811 0.73 LOXL2 (0.66) LOXL2TAAR1ALDH1A1RAB9ASREBF2
SCHEMBL12844165 0.73 POLB (0.59) LOXL2TAAR1ALDH1A1RAB9AL3MBTL1
SCHEMBL533529 0.73 MAPT (0.46) RAB9AMAPK1LMNASMN1; SMN2MAPT

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 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.