SCHEMBL533615

SCHEMBL533615

COc1ccnc(-c2cc[c]cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP3A5 P20815 1/20 0.41
CYP2A7 P20853 1/20 0.41
CYP3A7 P24462 1/20 0.41
CYP2F1 P24903 1/20 0.41
CYP2C18 P33260 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2J2 P51589 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4F8 P98187 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
SCHEMBL28020382 0.81 NPC1 (0.60) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL29524578 0.81 KMT2A (0.50) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL15483941 0.81 KMT2A (0.50) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL7031587 0.80 MEN1 (0.53) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL3538505 0.79 L3MBTL1 (0.40) NPC1CYP1A2CYP2C9CYP2C19KMT2A
Ammonia Solution, Strong SCHEMBL28862501 0.79 MEN1 (0.51) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL2130866 0.79 MEN1 (0.51) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL21051576 0.79 MEN1 (0.64) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL7031581 0.79 NPC1 (0.45) NPC1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL534163 0.78 ROCK1 (0.33) NPC1KMT2AMEN1

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 10 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-103965099-A Pyridylaminoacetic Acid Compound UBE INDUSTRIES 2014-08-06 CN disclosed
CN-101970410-B Pyridylaminoacetic acid compounds UBE INDUSTRIES 2014-06-25 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
CN-102448940-A Pharmaceutical composition for treating or preventing glaucoma UBE INDUSTRIES 2012-05-09 CN 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 NPC1 3585/4885CYP1A1 299/4885CYP1A2 159/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 NPC1 3814/4885CYP1A1 406/4885CYP1A2 220/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 NPC1 1105/4885CYP1A1 248/4885CYP1A2 173/4885

“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.