SCHEMBL533180

SCHEMBL533180

COc1ccc2c[c]ncc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 6/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 1/20 0.48
NCF1 P14598 1/20 0.47
CYP11B1 P15538 5/20 0.45
CYP11B2 P19099 5/20 0.45
NQO1 P15559 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
EGFR P00533 2/20 0.42
KDM4E B2RXH2 1/20 0.41
GSTP1 P09211 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
SCHEMBL1202965 0.77 CYP11B1 (0.47) RAB9ANPC1CYP1A2NCF1CYP11B1
SCHEMBL1201935 0.75 GPBAR1 (0.47) RAB9ANPC1NCF1CYP3A4KDM4E
SCHEMBL1202502 0.75 ALDH1A1 (0.56) RAB9ANPC1CYP3A4KDM4E
SCHEMBL2355660 0.75 CYP1A2 (0.48) CYP1A2CYP2A6KDM4E
SCHEMBL443070 0.74 CYP1A2 (0.79) RAB9ANPC1CASP3SENP7CYP1A2
SCHEMBL29447161 0.74 CYP1A2 (0.79) RAB9ANPC1CASP3SENP7CYP1A2
SCHEMBL5375329 0.74 CYP1A2 (0.58) RAB9ANPC1CASP3SENP7CYP1A2
SCHEMBL314646 0.71 CYP2A6 (0.54) RAB9ANPC1CASP3SENP7CYP1A2
SCHEMBL15513274 0.70 ALDH1A1 (0.35) RAB9ANPC1CASP3SENP7CYP1A2
SCHEMBL443528 0.70 CYP2A6 (0.80) RAB9ANPC1CASP3SENP7CYP1A2

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 RAB9A 2549/4885NPC1 3585/4885CASP3 3824/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 RAB9A 2112/4885NPC1 3814/4885CASP3 3839/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 RAB9A 1700/4885NPC1 1105/4885CASP3 2418/4885

“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.