SCHEMBL533662

SCHEMBL533662

BrCc1ccc(-c2ccccc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 2/20 0.46
TP53 P04637 2/20 0.46
PKM P14618 1/20 0.46
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
HPGD P15428 1/20 0.39
IL4I1 Q96RQ9 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.36
CHRNA7 P36544 3/20 0.36
HTR3A P46098 1/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL27823702 0.84 CYP11B1 (0.47) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL12694104 0.79 CYP11B1 (0.50) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL27163833 0.79 CYP11B1 (0.50) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL30045920 0.79 CYP11B1 (0.50) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL12963905 0.79 SMN1; SMN2 (0.50) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL2493590 0.79 RAB9A (0.62) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL30047347 0.78 CYP11B1 (0.49) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL27163470 0.78 CYP11B1 (0.49) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL534185 0.78 CYP11B1 (0.49) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2
SCHEMBL27776036 0.76 CTSK (0.49) CYP11B1CYP11B2RAB9ANPC1SMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394290-B2 Selective CYP11B1 inhibitors for the treatment of cortisol dependent diseases UNIVERSITAET DES SAARLANDES CAMPUS SAARBRUECKEN (DE) 2016-07-19 US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2014-06-05 US 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
EP-2630136-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES Universität des Saarlandes (DE) 2013-08-28 EP disclosed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US disclosed
WO-2012052540-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES UNIVERSITAET DES SAARLANDES (DE) 2012-04-26 WO 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 (4 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 CYP11B1 518/4885CYP11B2 228/4885RAB9A 2549/4885
US-20110054172-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP11B1 541/4885CYP11B2 264/4885RAB9A 2112/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP11B1 32/4885CYP11B2 25/4885RAB9A 1700/4885
US-20140155407-A1 SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES HSD11B1, CYP11B1, HSD11B2 CYP11B1 2/4885CYP11B2 4/4885RAB9A 2059/4885

“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.